* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    227     413
    1     0 S   NP   _N1_     1    29.49708    93.81213   -24.98279
    2     1 S   H    _HN1     2     1.02955    85.96845    11.19232
    3     1 S   H    _H1_     3     1.02828    21.11117  -171.21899
    4     1 S   H    _H2_     4     1.02782   115.18932   -97.22433
    5     1 S   CT   _CA1     5     1.50121   120.86386   122.59219
    6     5 S   HC   _HA1     6     1.09576   105.20458    79.81217
    7     5 S   CO3  _C1_     7     1.53798   112.42709   -40.41928
    8     7 S   O2Z  _O11     8     1.26374   114.99606   -42.55086
    9     7 S   O2Z  _O12     9     1.26241   114.94816   136.56458
   10     5 S   CT   _CB1    10     1.53091   107.43020  -162.20029
   11    10 S   HC   HB11    11     1.09831   109.38787   -49.71584
   12    10 S   HC   HB12    12     1.09818   110.43457    66.89196
   13    10 S   CT   _CG1    13     1.52996   112.61239  -170.71505
   14    13 S   HC   HG11    14     1.09586   110.57335   -64.95450
   15    13 S   HC   HG12    15     1.09667   109.84953    54.28187
   16    13 S   C    _CD1    16     1.51792   112.27480   174.72118
   17    16 S   O    _OE1    17     1.22739   123.30133     4.55372
   18    16 S   N    _N2_    18     1.38657   111.66305  -175.63116
   19    18 S   H    _HN2    19     1.01595   118.99808     1.30626
   20    18 S   CT1  _CA2    20     1.46056   123.33402   178.43990
   21    20 S   HC   _HA2    21     1.09542   109.33250    -3.07320
   22    20 S   C    _C2_    22     1.53494   108.82609  -118.00613
   23    22 S   O    _O2_    23     1.23052   122.21128  -149.63503
   24    20 S   CT   _CB2    32     1.53323   111.76436   119.45250
   25    24 S   HC   HB21    33     1.09688   109.30563    62.90148
   26    24 S   HC   HB22    34     1.09455   111.03981   179.49837
   27    22 S   N    _N3_    24     1.38313   113.65478    37.96437
   28    27 S   H    _HN3    25     1.01614   119.54131    -3.73644
   29    24 S   S    _SG2    35     1.83094   115.04564   -56.29424
   30    27 S   CT   _CA3    26     1.45285   123.17911   176.92152
   31    30 S   HC   HA31    27     1.09552   107.55898   -63.23432
   32    30 S   HC   HA32    28     1.09559   107.92359    53.18778
   33    29 S   CT   _C23    36     1.83378   101.49338   -63.35035
   34    33 S   HC   _H3_    37     1.09427   109.74023    50.96961
   35    30 S   CO3  _C3_    29     1.52951   114.08940   175.14683
   36    35 S   O2Z  _O31    30     1.26375   116.04750    -0.51926
   37    35 S   O2Z  _O32    31     1.26426   114.41670   179.53438
   38    33 S   CO4  _C21    38     1.52200   109.27144   166.59948
   39    38 S   O    _O26    39     1.22902   122.64049   -28.06281
   40    38 S   CA   _C11    40     1.49709   118.02201   156.05086
   41    40 S   CA   _C9_    41     1.41035   120.78928    -3.83880
   42    41 S   CA   _C6_    42     1.42376   120.94959   179.12285
   43    41 S   CO4  _C20    74     1.49240   117.88380    -2.03894
   44    43 S   O    _O25    75     1.22499   122.83752   156.19922
   45    42 S   CA   _C7_    43     1.48378   122.15019   178.52210
   46    42 S   CA   _C13    64     1.41880   118.63321    -0.32746
   47    33 S   CT   _C22    76     1.51423   110.24813   -72.16694
   48    47 S   HC   _H34    77     1.09516   111.56323    62.38707
   49    47 S   HC   _H35    78     1.09714   112.96058   -59.42212
   50    45 S   CA   _C12    44     1.41440   121.10955   -85.39137
   51    46 S   CA   _C5_    65     1.39996   119.80201     0.12972
   52    51 S   HA   _H31    66     1.08844   120.03087  -179.89913
   53    46 S   CT   _C25    70     1.50823   121.97053  -179.79347
   54    53 S   HC   _H40    71     1.09442   110.67771   -57.66834
   55    53 S   HC   _H41    72     1.09433   110.45389    64.04885
   56    53 S   HC   _H42    73     1.09549   111.51715  -176.69891
   57    50 S   CA   _C4_    45     1.40351   119.52402   179.54889
   58    57 S   HA   _H30    46     1.08862   119.11917  -179.51302
   59    50 S   CT   _C24    60     1.50657   121.79654     0.46352
   60    59 S   HC   _H37    61     1.09442   110.72272   -55.31794
   61    59 S   HC   _H38    62     1.09435   110.35572    66.23037
   62    59 S   HC   _H39    63     1.09537   111.49633  -174.31721
   63    40 S   CA   _C14    67     1.40133   120.29462   175.03481
   64    57 S   CA   _C8_    47     1.40019   120.98708     0.44499
   65    63 S   OH   _O27    68     1.36981   123.91696     0.93377
   66    65 S   HO   _H43    69     0.97372   109.08560    -0.09279
   67    64 S   CA   _C10    48     1.39638   120.32545    -0.10087
   68    45 S   CA   _C15    49     1.41515   120.20461    94.72760
   69    67 S   CO4  _C19    52     1.48220   119.37868   179.97202
   70    69 S   O    _O24    53     1.22537   121.84324  -179.74436
   71    68 S   OH   _O28    50     1.37533   116.69207    -0.08847
   72    71 S   HO   _H44    51     0.97332   109.36554  -178.84648
   73    69 S   CM   _C17    54     1.47592   118.24673     0.22814
   74    73 S   HC   _H33    55     1.08457   117.21180   179.82086
   75    73 S   CM   _C16    56     1.33260   121.93343    -0.20174
   76    75 S   HC   _H32    57     1.08436   121.02582  -179.98022
   77    64 S   CO4  _C18    58     1.47806   118.62385   179.93439
   78    77 S   O    _O23    59     1.22491   121.90069    -0.20367
  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
  11   7   2   1   1  11   4  12  14  18   7   3  16  10   2   1
   1  11   8   3   4   2   1   1  12   4   5   2   1   1   2  10
   1   1  10   6   7   3   1   1   5   3   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    63    43    44    47    48    49  
   38    39    40    43    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    51    63    65    43    47    48    49  
   40    41    63    47  
   41    42    45    46    51    52    63    65    66    43    44    47  
   42    45    50    68    46    51    63    65    53    43    44    47    48    49  
   45    50    57    67    68    71    59    46    51    52    63    53    54    55    56    43    44    47  
   44    47    48    49    45    46    63  
   47    48    49  
   50    57    58    64    67    68    71    72    69    59    60    61    62    46    51    53  
   51    52    63    65    53    54    55    56    50    68  
   48    49  
   49  
    0  
   57    58    64    67    68    71    77    59    60    61    62  
   52    63    65    66    53    54    55    56  
   63    65    53  
   54    55    56    63  
   55    56  
   56  
    0  
   58    64    67    68    69    75    77    78    59    60    61    62  
   64    67    77    59  
   60    61    62    64    68  
   61    62  
   62  
    0  
   65    66  
   67    68    71    69    70    73    75    76    77    78  
   66  
    0  
   68    71    72    69    70    73    74    75    77    78  
   71    72    69    70    73    77  
   70    73    74    75    76    77    71  
   73    74    75  
   72  
    0  
   74    75    76    77    78  
   75    76    77  
   76    77    78  
   77    78  
   78  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    47   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    63   469.000  1.400
   41    42   469.000  1.400
   41    43   310.000  1.470
   42    45   375.000  1.464
   42    46   469.000  1.400
   45    50   469.000  1.400
   45    68   469.000  1.400
   50    57   469.000  1.400
   50    59   317.000  1.510
   57    58   367.000  1.080
   57    64   469.000  1.400
   64    67   469.000  1.400
   64    77   310.000  1.470
   67    68   469.000  1.400
   67    69   310.000  1.470
   68    71   450.000  1.364
   71    72   553.000  0.945
   69    70   570.000  1.229
   69    73   320.000  1.462
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   340.000  1.080
   75    77   320.000  1.462
   77    78   570.000  1.229
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   46    51   469.000  1.400
   46    53   317.000  1.510
   51    52   367.000  1.080
   51    63   469.000  1.400
   63    65   450.000  1.364
   65    66   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   43    44   570.000  1.229
   43    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    47    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    47    43    63.00000  111.10000
   33    47    48    37.50000  110.70000
   33    47    49    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    63    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  119.52600
   40    63    51    63.00000  120.00000
   40    63    65    70.00000  120.00000
   41    42    45    60.00000  122.76000
   41    42    46    63.00000  120.00000
   41    43    44    75.00000  123.78400
   41    43    47    65.00000  115.47100
   42    45    50    60.00000  122.76000
   42    45    68    60.00000  122.76000
   42    46    51    63.00000  120.00000
   42    46    53    70.00000  120.00000
   45    50    57    63.00000  120.00000
   45    50    59    70.00000  120.00000
   45    68    67    63.00000  120.00000
   45    68    71    70.00000  120.00000
   50    57    58    35.00000  120.00000
   50    57    64    63.00000  120.00000
   50    59    60    35.00000  109.50000
   50    59    61    35.00000  109.50000
   50    59    62    35.00000  109.50000
   57    64    67    63.00000  120.00000
   57    64    77    60.00000  119.52600
   64    57    58    35.00000  120.00000
   64    67    68    63.00000  120.00000
   64    67    69    60.00000  119.52600
   64    77    75    65.00000  117.02400
   64    77    78    75.00000  123.78400
   67    68    71    70.00000  120.00000
   67    69    70    75.00000  123.78400
   67    69    73    65.00000  117.02400
   68    45    50    63.00000  120.00000
   68    71    72    35.00000  113.00000
   69    67    68    60.00000  119.52600
   69    73    74    40.00000  117.72500
   69    73    75    65.00000  118.96000
   73    69    70    80.00000  123.72100
   73    75    76    35.00000  120.00000
   73    75    77    65.00000  118.96000
   75    73    74    35.00000  120.00000
   75    77    78    80.00000  123.72100
   77    64    67    60.00000  119.52600
   77    75    76    40.00000  117.72500
   59    50    57    70.00000  120.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   46    42    45    60.00000  122.76000
   46    51    52    35.00000  120.00000
   46    51    63    63.00000  120.00000
   46    53    54    35.00000  109.50000
   46    53    55    35.00000  109.50000
   46    53    56    35.00000  109.50000
   51    63    65    70.00000  120.00000
   63    40    41    63.00000  120.00000
   63    51    52    35.00000  120.00000
   63    65    66    35.00000  113.00000
   53    46    51    70.00000  120.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   43    41    42    60.00000  119.52600
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    43    44    80.00000  120.40000
   49    47    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    43   0.56750  1.0 1.0
   29    33    47    43  -0.07550 -1.0 2.0
   29    33    47    43   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.15000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    63   2.26350  1.0 1.0
   33    38    40    63   0.76750 -1.0 2.0
   33    38    40    63   0.22500  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    43  -0.11250  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    43   0.11950  1.0 1.0
   38    33    47    43   0.20300 -1.0 2.0
   38    33    47    43  -0.70800  1.0 3.0
   38    33    47    48  -0.11250  1.0 3.0
   38    33    47    49  -0.11250  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    63    51   3.62500 -1.0 2.0
   38    40    63    65   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    63   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    43    44   1.05000 -1.0 2.0
   40    41    43    47   2.26350  1.0 1.0
   40    41    43    47   0.76750 -1.0 2.0
   40    41    43    47   0.22500  1.0 3.0
   40    63    65    66   0.84100 -1.0 2.0
   41    40    63    51   3.62500 -1.0 2.0
   41    40    63    65   3.62500 -1.0 2.0
   41    42    45    50  -0.19450  1.0 1.0
   41    42    45    50   0.63300 -1.0 2.0
   41    42    45    50   0.07450  1.0 3.0
   41    42    45    68  -0.19450  1.0 1.0
   41    42    45    68   0.63300 -1.0 2.0
   41    42    45    68   0.07450  1.0 3.0
   41    42   -46    51   3.62500 -1.0 2.0
   41    42    46    53   3.62500 -1.0 2.0
   41    43   -47    33   0.05850 -1.0 2.0
   41    43   -47    33   0.17250  1.0 3.0
   41    43    47    48   0.00000  1.0 1.0
   41    43    47    49   0.00000  1.0 1.0
   42    41    43    44   1.05000 -1.0 2.0
   42    41    43    47   2.26350  1.0 1.0
   42    41    43    47   0.76750 -1.0 2.0
   42    41    43    47   0.22500  1.0 3.0
   42    45    50    57   3.62500 -1.0 2.0
   42    45    50    59   3.62500 -1.0 2.0
   42    45    68    67   3.62500 -1.0 2.0
   42    45    68    71   3.62500 -1.0 2.0
   42    46    51    52   3.62500 -1.0 2.0
   42    46    51    63   3.62500 -1.0 2.0
   42    46    53    54   0.00000  1.0 1.0
   42    46    53    55   0.00000  1.0 1.0
   42    46    53    56   0.00000  1.0 1.0
   45    42    46    51   3.62500 -1.0 2.0
   45    42    46    53   3.62500 -1.0 2.0
   45    50    57    58   3.62500 -1.0 2.0
   45    50    57    64   3.62500 -1.0 2.0
   45    50    59    60   0.00000  1.0 1.0
   45    50    59    61   0.00000  1.0 1.0
   45    50    59    62   0.00000  1.0 1.0
   45    68    71    72   0.84100 -1.0 2.0
   50    45    68    67   3.62500 -1.0 2.0
   50    45    68    71   3.62500 -1.0 2.0
   50    57   -64    67   3.62500 -1.0 2.0
   50    57    64    77   3.62500 -1.0 2.0
   57    50    59    60   0.00000  1.0 1.0
   57    50    59    61   0.00000  1.0 1.0
   57    50    59    62   0.00000  1.0 1.0
   57    64    67    68   3.62500 -1.0 2.0
   57    64    67    69   3.62500 -1.0 2.0
   57    64    77    75  -0.11500  1.0 1.0
   57    64    77    75   1.10450 -1.0 2.0
   57    64    77    75  -0.48050  1.0 3.0
   57    64    77    78   1.05000 -1.0 2.0
   58    57    64    67   3.62500 -1.0 2.0
   58    57    64    77   3.62500 -1.0 2.0
   64    67   -68    45   3.62500 -1.0 2.0
   64    67    68    71   3.62500 -1.0 2.0
   64    67    69    70   1.05000 -1.0 2.0
   64    67    69    73  -0.11500  1.0 1.0
   64    67    69    73   1.10450 -1.0 2.0
   64    67    69    73  -0.48050  1.0 3.0
   67    64    77    75  -0.11500  1.0 1.0
   67    64    77    75   1.10450 -1.0 2.0
   67    64    77    75  -0.48050  1.0 3.0
   67    64    77    78   1.05000 -1.0 2.0
   67    68    71    72   0.84100 -1.0 2.0
   67    69    73    74   1.64500 -1.0 2.0
   67    69   -73    75  -1.65800  1.0 1.0
   67    69   -73    75   0.77650 -1.0 2.0
   68    45   -50    57   3.62500 -1.0 2.0
   68    45    50    59   3.62500 -1.0 2.0
   68    67    69    70   1.05000 -1.0 2.0
   68    67    69    73  -0.11500  1.0 1.0
   68    67    69    73   1.10450 -1.0 2.0
   68    67    69    73  -0.48050  1.0 3.0
   69    67    68    45   3.62500 -1.0 2.0
   69    67    68    71   3.62500 -1.0 2.0
   69    73    75    76   7.00000 -1.0 2.0
   69    73    75    77   7.00000 -1.0 2.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   1.00000 -1.0 2.0
   73    75   -77    64  -1.65800  1.0 1.0
   73    75   -77    64   0.77650 -1.0 2.0
   73    75    77    78   1.00000 -1.0 2.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    77   7.00000 -1.0 2.0
   76    75    77    64   1.64500 -1.0 2.0
   76    75    77    78   0.00000  1.0 1.0
   77    64    67    68   3.62500 -1.0 2.0
   77    64   -67    69   3.62500 -1.0 2.0
   59    50    57    58   3.62500 -1.0 2.0
   59    50    57    64   3.62500 -1.0 2.0
   46    42    45    50  -0.19450  1.0 1.0
   46    42    45    50   0.63300 -1.0 2.0
   46    42    45    50   0.07450  1.0 3.0
   46    42    45    68  -0.19450  1.0 1.0
   46    42    45    68   0.63300 -1.0 2.0
   46    42    45    68   0.07450  1.0 3.0
   46    51   -63    40   3.62500 -1.0 2.0
   46    51    63    65   3.62500 -1.0 2.0
   51    46    53    54   0.00000  1.0 1.0
   51    46    53    55   0.00000  1.0 1.0
   51    46    53    56   0.00000  1.0 1.0
   51    63    65    66   0.84100 -1.0 2.0
   52    51    63    40   3.62500 -1.0 2.0
   52    51    63    65   3.62500 -1.0 2.0
   63    40   -41    42   3.62500 -1.0 2.0
   63    40    41    43   3.62500 -1.0 2.0
   53    46    51    52   3.62500 -1.0 2.0
   53    46    51    63   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    46   3.62500 -1.0 2.0
   44    43    47    33   0.30150 -1.0 2.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.05850 -1.0 2.0
   47    33   -38    40   0.17250  1.0 3.0
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    40    38    39  10.50000 -1.0 2.0
   41    63    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    46    42    41   4.00000 -1.0 2.0
   50    68    45    42   4.00000 -1.0 2.0
   57    59    50    45   4.00000 -1.0 2.0
   64    58    57    50   1.10000 -1.0 2.0
   67    77    64    57   4.00000 -1.0 2.0
   68    69    67    64   4.00000 -1.0 2.0
   67    71    68    45   4.00000 -1.0 2.0
   67    73    69    70  10.50000 -1.0 2.0
   69    74    73    75   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   64    75    77    78  10.50000 -1.0 2.0
   51    53    46    42   4.00000 -1.0 2.0
   63    52    51    46   1.10000 -1.0 2.0
   51    65    63    40   4.00000 -1.0 2.0
   41    47    43    44  10.50000 -1.0 2.0
END
