* LIGAND DATABASE FILE (OPLS2005)
*
001      80    79    141    205     413
    1     0 S   NP   _N1_     1    29.76042    98.80380   -26.03422
    2     1 S   H    _HN1     2     1.02945    68.79901   -19.39081
    3     1 S   H    _H1_     3     1.02822    39.64580   175.84621
    4     1 S   H    _H2_     4     1.02785   129.61638  -116.10239
    5     1 S   CT   _CA1     5     1.50173   115.67320    83.81405
    6     5 S   HC   _HA1     6     1.09570   105.17393   102.36773
    7     5 S   CO3  _C1_     7     1.53812   112.09582   -17.84954
    8     7 S   O2Z  _O11     8     1.26397   114.99253   -47.73369
    9     7 S   O2Z  _O12     9     1.26205   114.98817   130.86322
   10     5 S   CT   _CB1    10     1.53045   107.32398  -139.69181
   11    10 S   HC   HB11    11     1.09843   109.50142   -48.00831
   12    10 S   HC   HB12    12     1.09804   110.47917    68.62421
   13    10 S   CT   _CG1    13     1.53012   112.55855  -168.82439
   14    13 S   HC   HG11    14     1.09570   110.76250   -64.34557
   15    13 S   HC   HG12    15     1.09630   109.61626    54.90495
   16    13 S   C    _CD1    16     1.51827   111.89579   175.33058
   17    16 S   O    _OE1    17     1.22817   123.12701    10.32430
   18    16 S   N    _N2_    18     1.38502   112.08364  -170.11702
   19    18 S   H    _HN2    19     1.01941   118.84706     3.36755
   20    18 S   CT1  _CA2    20     1.45790   122.76651   177.22406
   21    20 S   HC   _HA2    21     1.09676   109.96683    23.54290
   22    20 S   C    _C2_    22     1.53009   105.06408   -93.87687
   23    22 S   O    _O2_    23     1.23083   122.76892   -90.00945
   24    20 S   CT   _CB2    32     1.53129   112.10996   146.97946
   25    24 S   HC   HB21    33     1.09239   109.76117    54.69786
   26    24 S   HC   HB22    34     1.09417   108.73385   172.94648
   27    22 S   N    _N3_    24     1.38451   112.93694    86.63736
   28    27 S   H    _HN3    25     1.01730   120.02239    -0.82353
   29    24 S   S    _SG2    35     1.82703   111.83848   -67.22556
   30    27 S   CT   _CA3    26     1.45304   122.44343  -178.13072
   31    30 S   HC   HA31    27     1.09572   107.73783   -56.30994
   32    30 S   HC   HA32    28     1.09573   107.61140    59.92336
   33    29 S   CT   _C6_    36     1.87939   101.81274   166.54193
   34    33 S   OM   _O33    37     1.32125   106.69417   175.03809
   35    30 S   CO3  _C3_    29     1.52856   114.51528  -178.41205
   36    35 S   O2Z  _O31    30     1.26305   116.15917    -3.20693
   37    35 S   O2Z  _O32    31     1.26458   114.35452   176.83962
   38    33 S   CT   _C5_    38     1.56737   113.82985    55.83257
   39    38 S   HC   _H3_    39     1.09952   109.52696   169.22788
   40    33 S   S    _S1_    46     1.87860   106.51602   -70.68131
   41    38 S   CT   _C4_    40     1.53583   115.82699    48.90177
   42    41 S   HC   _H4_    41     1.09402   112.04299   -68.08298
   43    41 S   HC   _H5_    42     1.09376   112.14191    54.99806
   44    41 S   HC   _H6_    43     1.09636   109.73438   174.76351
   45    38 S   OH   _O40    44     1.43295   111.16239   -74.08446
   46    45 S   HO   _H22    45     0.97214   107.42206  -173.73553
   47    40 S   CT   _C7_    47     1.82986   102.18301   167.80524
   48    47 S   HC   _H7_    48     1.09442   108.65091    56.47812
   49    47 S   HC   _H8_    49     1.09239   108.51032   -60.71729
   50    47 S   CT1  _C8_    50     1.53829   113.04693   179.07719
   51    50 S   HC   _H9_    51     1.09817   108.05792   172.38929
   52    50 S   C    _C9_    52     1.53041   112.25872   -69.30132
   53    52 S   O    _O34    53     1.23002   122.73415   108.17018
   54    50 S   N    _N5_    62     1.46150   114.28089    54.46187
   55    54 S   H    _H13    63     1.01591   116.99838  -117.12996
   56    52 S   N    _N4_    54     1.38427   112.86797   -71.50658
   57    56 S   H    _H10    55     1.01629   120.38877    -0.03956
   58    54 S   C    _C12    64     1.38108   123.60386    65.21607
   59    58 S   O    _O37    65     1.22933   125.07417    -1.35523
   60    56 S   CT   _C10    56     1.45346   122.47202   179.38643
   61    60 S   HC   _H11    57     1.09561   107.46813   -64.06168
   62    60 S   HC   _H12    58     1.09569   107.96747    52.28056
   63    58 S   CT   _C13    66     1.51743   113.88225   176.41417
   64    63 S   HC   _H14    67     1.09701   107.48374   -64.43008
   65    63 S   HC   _H15    68     1.09608   108.19034  -178.98009
   66    60 S   CO3  _C11    59     1.52891   114.35345   174.33120
   67    66 S   O2Z  _O36    60     1.26338   116.10339     0.27268
   68    66 S   O2Z  _O35    61     1.26453   114.40610  -179.60091
   69    63 S   CT   _C14    69     1.52989   115.16015    57.38596
   70    69 S   HC   _H16    70     1.09777   109.08610   -67.25184
   71    69 S   HC   _H17    71     1.09863   107.79599   178.84614
   72    69 S   CT   _C15    72     1.53217   115.60536    55.78154
   73    72 S   HC   _H18    73     1.09224   111.22864   -57.98023
   74    72 S   CO3  _C16    74     1.53737   106.59557  -177.69777
   75    74 S   O2Z  _O39    75     1.26277   114.96367    96.12959
   76    74 S   O2Z  _O38    76     1.26386   115.17595   -84.39432
   77    72 S   NP   _N6_    77     1.49274   110.36821    58.78351
   78    77 S   H    _H19    78     1.02853   111.00622    58.44970
   79    77 S   H    _H20    79     1.02724   112.71654   -64.10647
   80    77 S   H    _H21    80     1.03206   109.76624   176.18192
  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   8   5   4   3
  14   6   2   1   1   9   7   9   5   3   2   1   1   1  10   5
   4  11   6  10   4   8   3   7   4   8   4   5   4   3   9   5
   4   2   1   1  11   5   4   8   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    45    40    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    44    45    46    40    47    48    49    50  
   38    39    41    45    40    47  
   36    37  
   37  
    0  
   39    41    42    43    44    45    46    40    47  
   41    42    43    44    45    46    40  
   47    48    49    50    51    52    54    41    45  
   42    43    44    45    46  
   43    44    45  
   44    45  
   45  
   46  
    0  
   48    49    50    51    52    53    56    54    55    58  
   49    50    51    52    54  
   50    51    52    54  
   51    52    53    56    57    60    54    55    58    59    63  
   52    53    56    54    55    58  
   53    56    57    60    61    62    66    54    55    58  
   56    57    60    54  
   55    58    59    63    64    65    69    56  
   58    59    63  
   57    60    61    62    66    67    68  
   60    61    62    66  
   59    63    64    65    69    70    71    72  
   63    64    65    69  
   61    62    66    67    68  
   62    66    67    68  
   66    67    68  
   64    65    69    70    71    72    73    74    77  
   65    69    70    71    72  
   69    70    71    72  
   67    68  
   68  
    0  
   70    71    72    73    74    75    76    77    78    79    80  
   71    72    73    74    77  
   72    73    74    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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  -0.175000   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   4.2000   0.3000  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   75   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   76   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   77   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   78   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   80   0.5000   0.0300   0.210000   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   570.000  1.307
   33    38   268.000  1.529
   33    40   222.000  1.810
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    45   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   553.000  0.945
   40    47   222.000  1.810
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    54   337.000  1.449
   52    53   570.000  1.229
   52    56   490.000  1.335
   56    57   434.000  1.010
   56    60   337.000  1.449
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   317.000  1.522
   66    67   656.000  1.250
   66    68   656.000  1.250
   54    55   434.000  1.010
   54    58   490.000  1.335
   58    59   570.000  1.229
   58    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   317.000  1.522
   72    77   367.000  1.471
   74    75   656.000  1.250
   74    76   656.000  1.250
   77    78   434.000  1.010
   77    79   434.000  1.010
   77    80   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  118.28000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    45    50.00000  109.50000
   33    40    47    62.00000   98.90000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    37.50000  110.70000
   38    45    46    55.00000  108.50000
   41    38    39    37.50000  110.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    41    50.00000  109.50000
   40    33    34    85.00000  114.68000
   40    33    38    75.00000  111.63000
   40    47    48    35.00000  109.50000
   40    47    49    35.00000  109.50000
   40    47    50    75.00000  108.68000
   47    50    51    37.50000  110.70000
   47    50    52    63.00000  111.10000
   47    50    54    80.00000  109.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    80.00000  120.40000
   50    52    56    70.00000  116.60000
   50    54    55    38.00000  118.40000
   50    54    58    50.00000  121.90000
   52    50    51    35.00000  109.50000
   52    56    57    35.00000  119.80000
   52    56    60    50.00000  121.90000
   56    52    53    80.00000  122.90000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    66    63.00000  110.10000
   60    56    57    38.00000  118.40000
   60    66    67    70.00000  117.00000
   60    66    68    70.00000  117.00000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   68    66    67    80.00000  126.00000
   54    50    51    35.00000  109.50000
   54    50    52    63.00000  110.10000
   54    58    59    80.00000  122.90000
   54    58    63    70.00000  116.60000
   58    54    55    35.00000  119.80000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    69    63.00000  111.10000
   63    58    59    80.00000  120.40000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    72    58.35000  112.70000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    70.00000  109.69300
   69    72    77    80.00000  111.20000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    74    75    70.00000  117.00000
   72    74    76    70.00000  117.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   74    72    73    35.00000  109.50000
   76    74    75    80.00000  126.00000
   77    72    73    35.00000  109.50000
   77    72    74    80.00000  109.26000
   79    77    78    35.00000  109.50000
   80    77    78    35.00000  109.50000
   80    77    79    35.00000  109.50000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    47   0.08500  1.0 1.0
   29    33    40    47  -0.53150 -1.0 2.0
   29    33    40    47   0.48050  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.15000  1.0 3.0
   33    38    41    44   0.15000  1.0 3.0
   33    38    45    46  -0.11600  1.0 1.0
   33    38    45    46  -0.09450 -1.0 2.0
   33    38    45    46   0.21250  1.0 3.0
   33    40    47    48   0.32350  1.0 3.0
   33    40    47    49   0.32350  1.0 3.0
   33    40    47    50   0.01700  1.0 1.0
   33    40    47    50  -0.23550 -1.0 2.0
   33    40    47    50   0.21350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    38    45   3.69350  1.0 1.0
   34    33    38    45  -1.82950 -1.0 2.0
   34    33    40    47   0.13850  1.0 1.0
   34    33    40    47  -1.34450 -1.0 2.0
   34    33    40    47   0.57400  1.0 3.0
   38    33    40    47   0.01700  1.0 1.0
   38    33    40    47  -0.23550 -1.0 2.0
   38    33    40    47   0.21350  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.15000  1.0 3.0
   39    38    45    46   0.19450  1.0 3.0
   41    38    45    46  -0.11600  1.0 1.0
   41    38    45    46  -0.09450 -1.0 2.0
   41    38    45    46   0.21250  1.0 3.0
   45    38    41    42   0.23400  1.0 3.0
   45    38    41    43   0.23400  1.0 3.0
   45    38    41    44   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.44750  1.0 1.0
   40    33    38    41  -0.17800 -1.0 2.0
   40    33    38    41   0.20200  1.0 3.0
   40    33    38    45   0.56750  1.0 1.0
   40    33    38    45  -0.07550 -1.0 2.0
   40    33    38    45   0.20000  1.0 3.0
   40    47    50    51   0.15000  1.0 3.0
   40    47    50    52  -2.17200  1.0 1.0
   40    47    50    52  -0.85700 -1.0 2.0
   40    47    50    54   0.71400  1.0 1.0
   40    47    50    54   0.04300 -1.0 2.0
   40    47    50    54   0.01450  1.0 3.0
   47    50    52    53   0.00000  1.0 1.0
   47    50    52    56   0.93250  1.0 1.0
   47    50    52    56   0.04450 -1.0 2.0
   47    50    52    56   0.17550  1.0 3.0
   47    50    54    55   0.00000  1.0 1.0
   47    50    54    58   0.25950  1.0 1.0
   47    50    54    58   0.43850 -1.0 2.0
   47    50    54    58   2.61650  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52  -0.03800  1.0 3.0
   48    47    50    54   0.23200  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52  -0.03800  1.0 3.0
   49    47    50    54   0.23200  1.0 3.0
   50    52    56    57   2.45000 -1.0 2.0
   50    52    56    60   1.15000  1.0 1.0
   50    52    56    60   3.04450 -1.0 2.0
   50    54    58    59   3.04450 -1.0 2.0
   50    54    58    63   1.15000  1.0 1.0
   50    54    58    63   3.04450 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    56   0.00000  1.0 1.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    58   0.00000  1.0 1.0
   52    50    54    55   0.00000  1.0 1.0
   52    50    54    58  -0.29800  1.0 1.0
   52    50    54    58   0.13950 -1.0 2.0
   52    50    54    58  -2.45650  1.0 3.0
   52    56    60    61   0.00000  1.0 1.0
   52    56    60    62   0.00000  1.0 1.0
   52    56    60    66  -0.29800  1.0 1.0
   52    56    60    66   0.13950 -1.0 2.0
   52    56    60    66  -2.45650  1.0 3.0
   53    52    56    57   2.45000 -1.0 2.0
   53    52    56    60   3.04450 -1.0 2.0
   56    60    66    67   0.00000  1.0 1.0
   56    60    66    68   0.00000  1.0 1.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   57    56    60    66   0.00000  1.0 1.0
   61    60    66    67   0.00000  1.0 1.0
   61    60    66    68   0.00000  1.0 1.0
   62    60    66    67   0.00000  1.0 1.0
   62    60    66    68   0.00000  1.0 1.0
   54    50    52    53   0.00000  1.0 1.0
   54    50    52    56   0.37150  1.0 1.0
   54    50    52    56   1.25400 -1.0 2.0
   54    50    52    56  -0.40250  1.0 3.0
   54    58    63    64   0.00000  1.0 1.0
   54    58    63    65   0.00000  1.0 1.0
   54    58    63    69   1.39750  1.0 1.0
   54    58    63    69  -0.07950 -1.0 2.0
   54    58    63    69  -0.18750  1.0 3.0
   55    54    58    59   2.45000 -1.0 2.0
   55    54    58    63   2.45000 -1.0 2.0
   58    63    69    70  -0.11250  1.0 3.0
   58    63    69    71  -0.11250  1.0 3.0
   58    63    69    72  -0.95700  1.0 1.0
   58    63    69    72  -0.18200 -1.0 2.0
   58    63    69    72   0.29450  1.0 3.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    65   0.00000  1.0 1.0
   59    58    63    69   0.30150 -1.0 2.0
   63    69    72    73   0.15000  1.0 3.0
   63    69    72    74  -1.63150  1.0 1.0
   63    69    72    74  -0.43550 -1.0 2.0
   63    69    72    74   0.24500  1.0 3.0
   63    69    72    77   1.36600  1.0 1.0
   63    69    72    77  -0.11450 -1.0 2.0
   63    69    72    77   0.24250  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    72   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    72   0.15000  1.0 3.0
   69    72    74    75   0.41150 -1.0 2.0
   69    72    74    76   0.41150 -1.0 2.0
   69    72    77    78   0.17350  1.0 3.0
   69    72    77    79   0.17350  1.0 3.0
   69    72    77    80   0.17350  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74  -0.11250  1.0 3.0
   70    69    72    77   0.19200  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74  -0.11250  1.0 3.0
   71    69    72    77   0.19200  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    77    78   0.13050  1.0 3.0
   73    72    77    79   0.13050  1.0 3.0
   73    72    77    80   0.13050  1.0 3.0
   74    72    77    78   0.17350  1.0 3.0
   74    72    77    79   0.17350  1.0 3.0
   74    72    77    80   0.17350  1.0 3.0
   77    72    74    75   0.30150 -1.0 2.0
   77    72    74    76   0.30150 -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
   50    56    52    53  10.50000 -1.0 2.0
   57    52    56    60   1.00000 -1.0 2.0
   67    60    66    68  10.50000 -1.0 2.0
   55    58    54    50   1.00000 -1.0 2.0
   54    63    58    59  10.50000 -1.0 2.0
   75    72    74    76  10.50000 -1.0 2.0
END
