* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    212     407
    1     0 S   NP   _N1_     1    28.59893    96.05793   -23.56962
    2     1 S   H    _HN1     2     1.02786   106.06292   -91.23024
    3     1 S   H    _H1_     3     1.02949    74.03748    13.75844
    4     1 S   H    _H2_     4     1.02830    35.85586   170.30503
    5     1 S   CT   _CA1     5     1.50112   136.90869   116.77641
    6     5 S   HC   _HA1     6     1.09573   105.19717    89.49828
    7     5 S   CO3  _C1_     7     1.53785   112.45849   -30.74537
    8     7 S   O2Z  _O11     8     1.26372   115.00818   -42.80970
    9     7 S   O2Z  _O12     9     1.26240   114.94548   136.33122
   10     5 S   CT   _CB1    10     1.53080   107.42466  -152.51237
   11    10 S   HC   HB11    11     1.09833   109.38112   -49.67298
   12    10 S   HC   HB12    12     1.09813   110.44831    66.93679
   13    10 S   CT   _CG1    13     1.52995   112.60294  -170.64039
   14    13 S   HC   HG11    14     1.09580   110.64101   -65.56578
   15    13 S   HC   HG12    15     1.09670   109.77673    53.66519
   16    13 S   C    _CD1    16     1.51800   112.20848   174.13258
   17    16 S   O    _OE1    17     1.22740   123.27531     7.37049
   18    16 S   N    _N2_    18     1.38650   111.68332  -172.73861
   19    18 S   H    _HN2    19     1.01584   118.97740     1.56548
   20    18 S   CT1  _CA2    20     1.46195   123.38949   177.57029
   21    20 S   HC   _HA2    21     1.09743   109.31331     3.20198
   22    20 S   C    _C2_    22     1.53570   108.79488  -112.25162
   23    22 S   O    _O2_    23     1.23064   122.26180  -149.16748
   24    20 S   CT   _CB2    32     1.53318   111.55877   125.13724
   25    24 S   HC   HB21    33     1.09492   110.06174    56.51302
   26    24 S   HC   HB22    34     1.09522   110.07625   175.57978
   27    22 S   N    _N3_    24     1.38321   113.75419    38.38598
   28    27 S   H    _HN3    25     1.01578   119.57926    -3.47874
   29    24 S   S    _SG2    35     1.82761   111.37405   -64.82466
   30    27 S   CT   _CA3    26     1.45285   123.23840   177.07189
   31    30 S   HC   HA31    27     1.09549   107.52454   -64.30666
   32    30 S   HC   HA32    28     1.09557   107.97471    52.13720
   33    29 S   CT   _C12    36     1.85030    99.67892  -178.30904
   34    33 S   HC   _H3_    37     1.09599   105.82483    32.54578
   35    30 S   CO3  _C3_    29     1.52964   114.06445   174.11620
   36    35 S   O2Z  _O31    30     1.26378   116.06555    -0.71354
   37    35 S   O2Z  _O32    31     1.26427   114.41405   179.35139
   38    33 S   CT   _C13    38     1.53568   109.21909   -82.49561
   39    38 S   HC   _H8_    39     1.10082   107.74370    58.28403
   40    38 S   HC   _H9_    40     1.09952   111.07183   -57.51391
   41    38 S   CMA  _C14    41     1.52846   112.88422   179.88131
   42    41 S   OM   _O34    42     1.26461   109.94064  -152.12781
   43    41 S   CM   _C15    43     1.35401   119.30589    26.77128
   44    43 S   CO4  _C16    44     1.49778   123.06542     1.91847
   45    44 S   O    _O35    45     1.23462   118.82045   172.68941
   46    43 S   CO4  _C17    73     1.49789   118.70057  -178.00472
   47    46 S   O    _O36    74     1.23046   120.23324   117.14171
   48    33 S   CT   _C11    46     1.56070   112.90506   152.08029
   49    46 S   CT   _C18    75     1.50733   118.19256   -64.91029
   50    49 S   HC   _H10    76     1.09273   109.57105   109.39156
   51    49 S   HC   _H11    77     1.09354   111.26589   -11.83708
   52    49 S   HC   _H12    78     1.09376   108.90304  -130.44886
   53    48 S   CA   _C9_    47     1.56515   109.14741   -65.64050
   54    48 S   CT   _C19    69     1.55530   111.90890    63.71003
   55    54 S   HC   _H13    70     1.09692   111.97067    67.33148
   56    54 S   HC   _H14    71     1.09328   113.27528   -52.54488
   57    54 S   HC   _H15    72     1.09729   111.12700  -174.66917
   58    53 S   CA   _C8_    48     1.41891   119.88414   -69.75488
   59    58 S   CA   _C7_    49     1.40637   122.02109   177.97339
   60    58 S   OH   _O37    67     1.37559   118.21234    -0.13848
   61    60 S   HO   _H16    68     0.97309   109.79597  -164.19787
   62    59 S   CA   _C6_    50     1.39766   119.81398     2.40599
   63    59 S   CO4  _C20    61     1.48579   119.56850  -177.41502
   64    63 S   O    _O38    62     1.22843   119.20187   -47.67550
   65    62 S   CA   _C5_    51     1.40305   120.57279    -0.95059
   66    62 S   OH   _O39    59     1.37074   118.06192   177.91992
   67    66 S   HO   _H20    60     0.97029   110.14946   163.62006
   68    63 S   CT   _C21    63     1.50617   118.89346   130.50183
   69    68 S   HC   _H17    64     1.09263   109.68814   104.31936
   70    68 S   HC   _H18    65     1.09339   111.42357   -17.61264
   71    68 S   HC   _H19    66     1.09408   108.78144  -135.82547
   72    53 S   CA   _C10    52     1.41536   123.93669   107.90088
   73    65 S   CT   _C4_    55     1.50874   120.70193   177.85579
   74    73 S   HC   _H4_    56     1.09402   110.04880    85.09957
   75    73 S   HC   _H5_    57     1.09475   111.87983  -153.46905
   76    73 S   HC   _H6_    58     1.09494   111.33664   -36.33931
   77    72 S   OH   _O33    53     1.37153   118.86059    -2.99160
   78    77 S   HO   _H7_    54     0.97092   109.55640  -149.91125
  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  10   5   4   3
  17   8   2   1   1  10   5   4   8   3  11  12   4   6   4  11
   3   2   1   1  15   5   2   1   1  11  14   4   1  12   7   4
   9   3   1   3   2   1   1   6   4   2   1   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    48    53    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    48    53    58    72    54    55    56    57  
   38    39    40    41    44    48    53    54  
   36    37  
   37  
    0  
   39    40    41    42    43    44    48    53    54    46  
   40    41    42    43    48  
   41    42    43    48  
   42    43    44    45    48    46    47    49  
   43    44    46  
   44    45    48    53    54    46    47    49    50    51    52  
   45    48    53    58    72    54    55    56    57    46    47    49  
   48    53    54    46  
   47    49    50    51    52    48  
   49    50    51    52  
   53    58    59    65    72    77    60    54    55    56    57  
   50    51    52  
   51    52  
   52  
    0  
   58    59    62    65    72    77    78    73    63    60    61    54    55    56    57  
   55    56    57    58    72  
   56    57  
   57  
    0  
   59    62    65    72    77    66    63    64    68    60    61  
   62    65    72    73    66    67    63    64    68    69    70    71    60    61  
   61    62    63    72  
    0  
   65    72    77    73    74    75    76    66    67    63    64    68  
   64    68    69    70    71    65    66  
   68    69    70    71  
   72    77    78    73    74    75    76    66    67  
   67    72    73  
    0  
   69    70    71  
   70    71  
   71  
    0  
   77    78    73    74    75    76  
   74    75    76    77  
   75    76  
   76  
    0  
   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   2.5000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.115000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    48   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   270.000  1.512
   41    42   745.000  1.250
   41    43   465.000  1.376
   43    44   320.000  1.462
   43    46   320.000  1.462
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    53   317.000  1.510
   48    54   268.000  1.529
   53    58   469.000  1.400
   53    72   469.000  1.400
   58    59   469.000  1.400
   58    60   450.000  1.364
   59    62   469.000  1.400
   59    63   310.000  1.470
   62    65   469.000  1.400
   62    66   450.000  1.364
   65    72   469.000  1.400
   65    73   317.000  1.510
   72    77   450.000  1.364
   77    78   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   66    67   553.000  0.945
   63    64   570.000  1.229
   63    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   60    61   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.02700
   33    48    44    63.00000  111.10000
   33    48    53    70.00000  112.17500
   33    48    54    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    85.00000  112.85300
   38    41    43    65.00000  122.18000
   40    38    39    33.00000  107.80000
   41    38    39    45.00000  110.52000
   41    38    40    45.00000  110.52000
   41    43    44    60.00000  125.92000
   41    43    46    60.00000  125.92000
   43    41    42    65.00000  137.10300
   43    44    45    80.00000  123.72100
   43    44    48    65.00000  118.62400
   43    46    47    80.00000  123.72100
   43    46    49    65.00000  118.62400
   44    48    53    70.00000  110.93000
   44    48    54    63.00000  111.10000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    44    45    80.00000  120.40000
   48    53    58    70.00000  120.00000
   48    53    72    70.00000  120.00000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   53    58    59    63.00000  120.00000
   53    58    60    70.00000  120.00000
   53    72    65    63.00000  120.00000
   53    72    77    70.00000  120.00000
   58    59    62    63.00000  120.00000
   58    59    63    60.00000  119.52600
   58    60    61    35.00000  113.00000
   59    62    65    63.00000  120.00000
   59    62    66    70.00000  120.00000
   59    63    64    75.00000  123.78400
   59    63    68    65.00000  115.47100
   62    65    72    63.00000  120.00000
   62    65    73    70.00000  120.00000
   62    66    67    35.00000  113.00000
   65    72    77    70.00000  120.00000
   65    73    74    35.00000  109.50000
   65    73    75    35.00000  109.50000
   65    73    76    35.00000  109.50000
   72    53    58    63.00000  120.00000
   72    77    78    35.00000  113.00000
   73    65    72    70.00000  120.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   66    62    65    70.00000  120.00000
   63    59    62    60.00000  119.52600
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   68    63    64    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   60    58    59    70.00000  120.00000
   54    48    53    70.00000  112.17500
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   46    43    44    65.00000  115.30000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   49    46    47    80.00000  120.40000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    53   0.56750  1.0 1.0
   29    33    48    53  -0.07550 -1.0 2.0
   29    33    48    53   0.20000  1.0 3.0
   29    33    48    54   0.44750  1.0 1.0
   29    33    48    54  -0.17800 -1.0 2.0
   29    33    48    54   0.20200  1.0 3.0
   33    38    41    42   0.09700  1.0 1.0
   33    38    41    42   0.15600 -1.0 2.0
   33    38    41    42  -0.50800  1.0 3.0
   33    38    41    43   0.09850  1.0 1.0
   33    38    41    43   0.15250 -1.0 2.0
   33    38    41    43  -0.50650  1.0 3.0
   33    48    53    58   0.04150 -1.0 2.0
   33    48    53    72   0.04150 -1.0 2.0
   33    48    54    55   0.15000  1.0 3.0
   33    48    54    56   0.15000  1.0 3.0
   33    48    54    57   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    48    44  -0.11250  1.0 3.0
   34    33    48    53   0.43200  1.0 3.0
   34    33    48    54   0.15000  1.0 3.0
   38    33    48    44  -0.95700  1.0 1.0
   38    33    48    44  -0.18200 -1.0 2.0
   38    33    48    44   0.29450  1.0 3.0
   38    33    48    53  -0.03700  1.0 1.0
   38    33    48    53   0.37200 -1.0 2.0
   38    33    48    53  -0.47300  1.0 3.0
   38    33    48    54   0.56750  1.0 1.0
   38    33    48    54  -0.07550 -1.0 2.0
   38    33    48    54   0.20000  1.0 3.0
   38    41   -43    44   7.00000 -1.0 2.0
   38    41    43    46   7.00000 -1.0 2.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45   1.00000 -1.0 2.0
   41    43    44    48  -0.33500  1.0 1.0
   41    43    44    48   1.06600 -1.0 2.0
   41    43    44    48  -0.14000  1.0 3.0
   41    43    46    47   1.00000 -1.0 2.0
   41    43    46    49  -0.33500  1.0 1.0
   41    43    46    49   1.06600 -1.0 2.0
   41    43    46    49  -0.14000  1.0 3.0
   42    41    43    44   7.00000 -1.0 2.0
   42    41    43    46   7.00000 -1.0 2.0
   43    44   -48    33   0.65300  1.0 1.0
   43    44   -48    33  -0.03850 -1.0 2.0
   43    44   -48    33   0.33900  1.0 3.0
   43    44    48    53   0.65300  1.0 1.0
   43    44    48    53  -0.03850 -1.0 2.0
   43    44    48    53   0.33900  1.0 3.0
   43    44    48    54   0.65300  1.0 1.0
   43    44    48    54  -0.03850 -1.0 2.0
   43    44    48    54   0.33900  1.0 3.0
   43    46    49    50   0.00000  1.0 1.0
   43    46    49    51   0.00000  1.0 1.0
   43    46    49    52   0.00000  1.0 1.0
   44    43    46    47   2.50000 -1.0 2.0
   44    43    46    49   1.50000 -1.0 2.0
   44    48    53    58   0.04300 -1.0 2.0
   44    48    53    72   0.04300 -1.0 2.0
   44    48    54    55  -0.11250  1.0 3.0
   44    48    54    56  -0.11250  1.0 3.0
   44    48    54    57  -0.11250  1.0 3.0
   45    44    48    33   0.30150 -1.0 2.0
   45    44    48    53   0.30150 -1.0 2.0
   45    44    48    54   0.30150 -1.0 2.0
   48    33    38    39   0.15000  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41   0.34400  1.0 1.0
   48    33   -38    41   0.09450 -1.0 2.0
   48    33   -38    41   0.11100  1.0 3.0
   48    53    58    59   3.62500 -1.0 2.0
   48    53    58    60   3.62500 -1.0 2.0
   48    53    72    65   3.62500 -1.0 2.0
   48    53    72    77   3.62500 -1.0 2.0
   53    48    54    55   0.43200  1.0 3.0
   53    48    54    56   0.43200  1.0 3.0
   53    48    54    57   0.43200  1.0 3.0
   53    58    59    62   3.62500 -1.0 2.0
   53    58    59    63   3.62500 -1.0 2.0
   53    58    60    61   0.84100 -1.0 2.0
   53    72    77    78   0.84100 -1.0 2.0
   58    53    72    65   3.62500 -1.0 2.0
   58    53    72    77   3.62500 -1.0 2.0
   58    59   -62    65   3.62500 -1.0 2.0
   58    59    62    66   3.62500 -1.0 2.0
   58    59    63    64   1.05000 -1.0 2.0
   58    59    63    68   2.26350  1.0 1.0
   58    59    63    68   0.76750 -1.0 2.0
   58    59    63    68   0.22500  1.0 3.0
   59    58    60    61   0.84100 -1.0 2.0
   59    62    65    72   3.62500 -1.0 2.0
   59    62    65    73   3.62500 -1.0 2.0
   59    62    66    67   0.84100 -1.0 2.0
   59    63    68    69   0.00000  1.0 1.0
   59    63    68    70   0.00000  1.0 1.0
   59    63    68    71   0.00000  1.0 1.0
   62    59    63    64   1.05000 -1.0 2.0
   62    59    63    68   2.26350  1.0 1.0
   62    59    63    68   0.76750 -1.0 2.0
   62    59    63    68   0.22500  1.0 3.0
   62    65   -72    53   3.62500 -1.0 2.0
   62    65    72    77   3.62500 -1.0 2.0
   62    65    73    74   0.00000  1.0 1.0
   62    65    73    75   0.00000  1.0 1.0
   62    65    73    76   0.00000  1.0 1.0
   65    62    66    67   0.84100 -1.0 2.0
   65    72    77    78   0.84100 -1.0 2.0
   72    53   -58    59   3.62500 -1.0 2.0
   72    53    58    60   3.62500 -1.0 2.0
   72    65    73    74   0.00000  1.0 1.0
   72    65    73    75   0.00000  1.0 1.0
   72    65    73    76   0.00000  1.0 1.0
   73    65    72    53   3.62500 -1.0 2.0
   73    65    72    77   3.62500 -1.0 2.0
   66    62    65    72   3.62500 -1.0 2.0
   66    62    65    73   3.62500 -1.0 2.0
   63    59    62    65   3.62500 -1.0 2.0
   63    59    62    66   3.62500 -1.0 2.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   64    63    68    71   0.00000  1.0 1.0
   60    58    59    62   3.62500 -1.0 2.0
   60    58    59    63   3.62500 -1.0 2.0
   54    48    53    58   0.04150 -1.0 2.0
   54    48    53    72   0.04150 -1.0 2.0
   46    43    44    45   2.50000 -1.0 2.0
   46    43    44    48   1.50000 -1.0 2.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   47    46    49    52   0.00000  1.0 1.0
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
   38    42    41    43   1.10000 -1.0 2.0
   44    46    43    41   1.10000 -1.0 2.0
   43    48    44    45  10.50000 -1.0 2.0
   58    72    53    48   4.00000 -1.0 2.0
   59    60    58    53   4.00000 -1.0 2.0
   62    63    59    58   4.00000 -1.0 2.0
   65    66    62    59   4.00000 -1.0 2.0
   72    73    65    62   4.00000 -1.0 2.0
   65    77    72    53   4.00000 -1.0 2.0
   59    68    63    64  10.50000 -1.0 2.0
   43    49    46    47  10.50000 -1.0 2.0
END
