* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    154    246     456
    1     0 S   NP   _N1_     1    28.90808    94.19542   -19.70864
    2     1 S   H    _HN1     2     1.02959   101.34133    33.19304
    3     1 S   H    _H1_     3     1.02837    32.58530   137.20049
    4     1 S   H    _H2_     4     1.02779    79.86467   -73.63368
    5     1 S   CT   _CA1     5     1.50102   139.08384   174.01208
    6     5 S   HC   _HA1     6     1.09567   105.30844    39.13243
    7     5 S   CO3  _C1_     7     1.53946   112.20785   -81.22899
    8     7 S   O2Z  _O11     8     1.26376   115.03813   -46.65173
    9     7 S   O2Z  _O12     9     1.26236   114.90169   132.49762
   10     5 S   CT   _CB1    10     1.53110   107.42948   157.12732
   11    10 S   HC   HB11    11     1.09814   109.70289   -49.44194
   12    10 S   HC   HB12    12     1.09833   110.22729    67.17413
   13    10 S   CT   _CG1    13     1.53021   112.55812  -170.55456
   14    13 S   HC   HG11    14     1.09416   110.10526   -55.23096
   15    13 S   HC   HG12    15     1.09595   110.32243    63.80183
   16    13 S   C    _CD1    16     1.51765   111.94390  -175.83172
   17    16 S   O    _OE1    17     1.22761   122.96389   -18.65208
   18    16 S   N    _N2_    18     1.38651   111.95258   161.85013
   19    18 S   H    _HN2    19     1.01560   119.13759     2.89895
   20    18 S   CT1  _CA2    20     1.46252   123.25542  -175.68943
   21    20 S   HC   _HA2    21     1.09735   109.22258   -16.65086
   22    20 S   C    _C2_    22     1.53344   108.39719  -132.50130
   23    22 S   O    _O2_    23     1.23008   122.24511  -145.57750
   24    20 S   CT   _CB2    32     1.53678   111.62406   105.22972
   25    24 S   HC   HB21    33     1.09590   109.86736    57.69758
   26    24 S   HC   HB22    34     1.09445   110.08989   176.66880
   27    22 S   N    _N3_    24     1.38506   113.31725    41.70680
   28    27 S   H    _HN3    25     1.01538   118.91067    -0.42842
   29    24 S   S    _SG2    35     1.82644   111.69771   -63.00901
   30    27 S   CT   _CA3    26     1.45448   123.41152   175.12798
   31    30 S   HC   HA31    27     1.09525   109.19898    25.06398
   32    30 S   HC   HA32    28     1.09494   107.13170   142.06734
   33    29 S   CT   _C20    36     1.86006   100.17283   173.69590
   34    33 S   HC   _H6_    37     1.09771   107.74604   -34.02520
   35    30 S   CO3  _C3_    29     1.52931   113.13771   -98.38157
   36    35 S   O2Z  _O31    30     1.26399   115.41150   -44.10676
   37    35 S   O2Z  _O32    31     1.26355   114.97268   136.82205
   38    33 S   CT   _C19    38     1.55324   108.03032    80.60478
   39    38 S   HC   _H5_    39     1.09646   109.50749   -65.85735
   40    38 S   CT   _C18    40     1.52761   112.18118   173.57053
   41    40 S   HC   _H23    41     1.09646   109.97016  -178.11011
   42    40 S   HC   _H24    42     1.09649   110.02388    63.69219
   43    38 S   OH   _O35    78     1.42780   111.48534    52.52241
   44    43 S   HO   _H25    79     0.97274   107.68039  -173.17223
   45    40 S   CT   _C17    43     1.52327   110.61301   -58.20409
   46    45 S   HC   _H21    44     1.09675   109.51237  -179.28673
   47    45 S   HC   _H22    45     1.09568   109.91195   -62.96378
   48    45 S   CT   _C16    46     1.52285   109.37643    60.58815
   49    48 S   HC   _H4_    47     1.09954   107.89973    73.21094
   50    33 S   CT   _C12    48     1.57229   112.13383  -151.65547
   51    48 S   NP   _N4_    60     1.51963   110.25513  -169.08882
   52    51 S   H    _H3_    61     1.02898   111.44534   -38.46057
   53    50 S   CA   _C8_    49     1.56534   115.64603    77.64714
   54    51 S   CT   _C14    62     1.51355   105.84068    81.38658
   55    54 S   HC   _H17    63     1.09465   107.09508   -92.28111
   56    54 S   HC   _H18    64     1.09415   109.79285   149.22323
   57    53 S   CA   _C9_    50     1.40725   123.58960   -17.59720
   58    57 S   HA   _H11    51     1.08065   119.85084     1.86739
   59    50 S   CT   _C13    65     1.55526   113.78678   -47.82917
   60    59 S   HC   _H15    66     1.09684   112.36293    92.72286
   61    59 S   HC   _H16    67     1.09380   112.74860   -27.56337
   62    57 S   CA   _C10    52     1.40288   121.67323  -178.81932
   63    62 S   CA   _C5_    53     1.39722   119.03970     2.27400
   64    62 S   OS   _O34    73     1.37071   124.82285  -177.85406
   65    63 S   CA   _C6_    54     1.39220   120.70062    -4.73615
   66    65 S   HA   _H10    55     1.08748   119.67662  -175.97718
   67    63 S   OS   _O33    68     1.37249   121.41595  -179.65226
   68    64 S   CT   _C11    74     1.42175   116.98829    16.40563
   69    68 S   HC   _H12    75     1.09417   107.78853   172.04201
   70    68 S   HC   _H13    76     1.09528   111.38797    54.01010
   71    68 S   HC   _H14    77     1.09277   111.01125   -70.29622
   72    53 S   CA   _C7_    56     1.42139   118.65599   161.94334
   73    67 S   CT   _C4_    69     1.42883   110.20992   -83.34142
   74    73 S   HC   _H7_    70     1.09411   107.74986  -172.04875
   75    73 S   HC   _H8_    71     1.09442   111.19110    69.88965
   76    73 S   HC   _H9_    72     1.09594   111.47715   -53.73130
   77    72 S   CT   _C15    57     1.50957   120.84284    -6.47996
   78    77 S   HC   _H19    58     1.09543   111.80731   129.47497
   79    77 S   HC   _H20    59     1.09624   109.62759  -109.83020
  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
  20   8   2   1   1  13   7  11   6   5   3   1  11   5   4  16
   7  15  13   8  15   9   5   4  10   4   4   1   1  11  11   6
   7   3   5   3   2   1   1   3   3   2   1   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    50    53    59    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    48    49    50    53    57    72    51    54    59    60    61    43    44  
   38    39    40    48    50    53    59    43  
   36    37  
   37  
    0  
   39    40    41    42    45    46    47    48    50    53    59    43    44  
   40    41    42    45    50    43    44  
   41    42    45    46    47    48    49    50    51    43    44  
   42    45    46    47    48    43  
   45    46    47    48    43  
   44    45    50  
    0  
   46    47    48    49    50    53    77    51    52    54    59  
   47    48    49    50    51  
   48    49    50    51  
   49    50    53    57    72    77    78    79    51    52    54    55    56    59    60    61  
   50    53    77    51    52    54    59  
   53    57    58    62    65    72    77    51    52    54    55    56    59    60    61  
   52    54    55    56    59    60    61    53    65    72    77    78    79  
   54    55    56    59    72    77    78    79  
   57    58    62    63    65    66    72    77    78    79    54    59    60    61    64  
   55    56    59    60    61    72    77    78    79  
   56    59    60    61    77  
   59    60    61    77  
   58    62    63    65    72    77    59    67    64    68  
   62    63    72    64  
   60    61    72    77  
   61  
    0  
   63    65    66    72    67    73    64    68    69    70    71  
   65    66    72    77    67    73    74    75    76    64    68  
   68    69    70    71    65    67  
   66    72    77    78    79    67    73  
   72    77    67  
   73    74    75    76    72  
   69    70    71  
   70    71  
   71  
    0  
   77    78    79  
   74    75    76  
   75    76  
   76  
    0  
   78    79  
   79  
    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   1.6450   1.4500   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   52   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   367.000  1.471
   50    53   317.000  1.510
   50    59   268.000  1.529
   53    57   469.000  1.400
   53    72   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   469.000  1.400
   62    64   450.000  1.364
   63    65   469.000  1.400
   63    67   450.000  1.364
   65    66   367.000  1.080
   65    72   469.000  1.400
   72    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    51   367.000  1.471
   51    52   434.000  1.010
   51    54   367.000  1.471
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   67    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   64    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   43    44   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    50.00000  109.50000
   33    50    48    58.35000  112.70000
   33    50    53    70.00000  112.17500
   33    50    59    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    43    44    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    58.35000  112.70000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    58.35000  112.70000
   45    48    51    80.00000  111.20000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    50    53    70.00000  112.17500
   48    50    59    58.35000  112.70000
   48    51    77    75.00000  113.01200
   48    51    52    35.00000  109.50000
   48    51    54    75.00000  113.01200
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    53    57    70.00000  120.00000
   50    53    72    70.00000  120.00000
   50    59    54    58.35000  112.70000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   53    57    58    35.00000  120.00000
   53    57    62    63.00000  120.00000
   53    72    65    63.00000  120.00000
   53    72    77    70.00000  120.00000
   57    62    63    63.00000  120.00000
   57    62    64    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    63    65    63.00000  120.00000
   62    63    67    70.00000  120.00000
   62    64    68    75.00000  111.00000
   63    65    66    35.00000  120.00000
   63    65    72    63.00000  120.00000
   63    67    73    75.00000  111.00000
   65    72    77    70.00000  120.00000
   72    53    57    63.00000  120.00000
   72    65    66    35.00000  120.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    51    75.00000  110.83300
   77    51    52    35.00000  109.50000
   77    51    54    75.00000  113.01200
   79    77    78    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    80.00000  111.20000
   51    77    78    35.00000  109.50000
   51    77    79    35.00000  109.50000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    59    80.00000  111.20000
   54    51    52    35.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   56    54    55    33.00000  107.80000
   59    50    53    70.00000  112.17500
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   67    63    65    70.00000  120.00000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   64    62    63    70.00000  120.00000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    50.00000  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   0.32350  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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    53   0.56750  1.0 1.0
   29    33    50    53  -0.07550 -1.0 2.0
   29    33    50    53   0.20000  1.0 3.0
   29    33    50    59   0.44750  1.0 1.0
   29    33    50    59  -0.17800 -1.0 2.0
   29    33    50    59   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    43    44  -0.11600  1.0 1.0
   33    38    43    44  -0.09450 -1.0 2.0
   33    38    43    44   0.21250  1.0 3.0
   33    50    53    57   0.04150 -1.0 2.0
   33    50    53    72   0.04150 -1.0 2.0
   33    50    59    54   0.56750  1.0 1.0
   33    50    59    54  -0.07550 -1.0 2.0
   33    50    59    54   0.20000  1.0 3.0
   33    50    59    60   0.15000  1.0 3.0
   33    50    59    61   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    43   0.23400  1.0 3.0
   34    33    50    48   0.15000  1.0 3.0
   34    33    50    53   0.43200  1.0 3.0
   34    33    50    59   0.15000  1.0 3.0
   38    33    50    48   0.56750  1.0 1.0
   38    33    50    48  -0.07550 -1.0 2.0
   38    33    50    48   0.20000  1.0 3.0
   38    33    50    53  -0.03700  1.0 1.0
   38    33    50    53   0.37200 -1.0 2.0
   38    33    50    53  -0.47300  1.0 3.0
   38    33    50    59   0.56750  1.0 1.0
   38    33    50    59  -0.07550 -1.0 2.0
   38    33    50    59   0.20000  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40   -45    48   0.56750  1.0 1.0
   38    40   -45    48  -0.07550 -1.0 2.0
   38    40   -45    48   0.20000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    43    44   0.19450  1.0 3.0
   40    38    43    44  -0.11600  1.0 1.0
   40    38    43    44  -0.09450 -1.0 2.0
   40    38    43    44   0.21250  1.0 3.0
   40    45    48    49   0.15000  1.0 3.0
   40    45    48    50   0.56750  1.0 1.0
   40    45    48    50  -0.07550 -1.0 2.0
   40    45    48    50   0.20000  1.0 3.0
   40    45    48    51   1.36600  1.0 1.0
   40    45    48    51  -0.11450 -1.0 2.0
   40    45    48    51   0.24250  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    48   0.15000  1.0 3.0
   45    48   -50    33   0.56750  1.0 1.0
   45    48   -50    33  -0.07550 -1.0 2.0
   45    48   -50    33   0.20000  1.0 3.0
   45    48    50    53  -0.03700  1.0 1.0
   45    48    50    53   0.37200 -1.0 2.0
   45    48    50    53  -0.47300  1.0 3.0
   45    48    50    59   0.56750  1.0 1.0
   45    48    50    59  -0.07550 -1.0 2.0
   45    48    50    59   0.20000  1.0 3.0
   45    48    51    77   0.47100  1.0 1.0
   45    48    51    52   0.17350  1.0 3.0
   45    48    51    54   0.47100  1.0 1.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.19200  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.19200  1.0 3.0
   48    50    53    57   0.04150 -1.0 2.0
   48    50    53    72   0.04150 -1.0 2.0
   48    50   -59    54   0.56750  1.0 1.0
   48    50   -59    54  -0.07550 -1.0 2.0
   48    50   -59    54   0.20000  1.0 3.0
   48    50    59    60   0.15000  1.0 3.0
   48    50    59    61   0.15000  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.15000  1.0 3.0
   48    51   -54    59   0.47100  1.0 1.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    53   0.43200  1.0 3.0
   49    48    50    59   0.15000  1.0 3.0
   49    48    51    77   0.15000  1.0 3.0
   49    48    51    52   0.13050  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.56750  1.0 1.0
   50    33   -38    40  -0.07550 -1.0 2.0
   50    33   -38    40   0.20000  1.0 3.0
   50    33    38    43   0.86500  1.0 1.0
   50    33    38    43  -0.17500 -1.0 2.0
   50    33    38    43   0.20800  1.0 3.0
   50    48    51    77   0.47100  1.0 1.0
   50    48    51    52   0.17350  1.0 3.0
   50    48   -51    54   0.47100  1.0 1.0
   50    53    57    58   3.62500 -1.0 2.0
   50    53    57    62   3.62500 -1.0 2.0
   50    53    72    65   3.62500 -1.0 2.0
   50    53   -72    77   3.62500 -1.0 2.0
   53    50    59    54  -0.03700  1.0 1.0
   53    50    59    54   0.37200 -1.0 2.0
   53    50    59    54  -0.47300  1.0 3.0
   53    50    59    60   0.43200  1.0 3.0
   53    50    59    61   0.43200  1.0 3.0
   53    57    62    63   3.62500 -1.0 2.0
   53    57    62    64   3.62500 -1.0 2.0
   53    72    77    78   0.00000  1.0 1.0
   53    72    77    79   0.00000  1.0 1.0
   53    72    77    51  -0.46400 -1.0 2.0
   57    53    72    65   3.62500 -1.0 2.0
   57    53    72    77   3.62500 -1.0 2.0
   57    62   -63    65   3.62500 -1.0 2.0
   57    62    63    67   3.62500 -1.0 2.0
   57    62    64    68   1.63200 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    64   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    72   3.62500 -1.0 2.0
   62    63    67    73   1.63200 -1.0 2.0
   62    64    68    69   0.08050  1.0 3.0
   62    64    68    70   0.08050  1.0 3.0
   62    64    68    71   0.08050  1.0 3.0
   63    62    64    68   1.63200 -1.0 2.0
   63    65   -72    53   3.62500 -1.0 2.0
   63    65    72    77   3.62500 -1.0 2.0
   63    67    73    74   0.08050  1.0 3.0
   63    67    73    75   0.08050  1.0 3.0
   63    67    73    76   0.08050  1.0 3.0
   65    63    67    73   1.63200 -1.0 2.0
   65    72    77    78   0.00000  1.0 1.0
   65    72    77    79   0.00000  1.0 1.0
   65    72    77    51  -0.46400 -1.0 2.0
   66    65    72    53   3.62500 -1.0 2.0
   66    65    72    77   3.62500 -1.0 2.0
   72    53    57    58   3.62500 -1.0 2.0
   72    53   -57    62   3.62500 -1.0 2.0
   72    77   -51    48   0.03550  1.0 1.0
   72    77   -51    48   0.09800 -1.0 2.0
   72    77    51    52   0.17350  1.0 3.0
   72    77    51    54   0.03550  1.0 1.0
   72    77    51    54   0.09800 -1.0 2.0
   77    51    54    55   0.15000  1.0 3.0
   77    51    54    56   0.15000  1.0 3.0
   77    51    54    59   0.47100  1.0 1.0
   78    77    51    48   0.15000  1.0 3.0
   78    77    51    52   0.13050  1.0 3.0
   78    77    51    54   0.15000  1.0 3.0
   79    77    51    48   0.15000  1.0 3.0
   79    77    51    52   0.13050  1.0 3.0
   79    77    51    54   0.15000  1.0 3.0
   51    48    50    33   1.36600  1.0 1.0
   51    48    50    33  -0.11450 -1.0 2.0
   51    48    50    33   0.24250  1.0 3.0
   51    48   -50    53   1.24050  1.0 1.0
   51    48   -50    53   0.48100 -1.0 2.0
   51    48   -50    53   1.08150  1.0 3.0
   51    48   -50    59   1.36600  1.0 1.0
   51    48   -50    59  -0.11450 -1.0 2.0
   51    48   -50    59   0.24250  1.0 3.0
   51    54   -59    50   1.36600  1.0 1.0
   51    54   -59    50  -0.11450 -1.0 2.0
   51    54   -59    50   0.24250  1.0 3.0
   51    54    59    60   0.19200  1.0 3.0
   51    54    59    61   0.19200  1.0 3.0
   52    51    54    55   0.13050  1.0 3.0
   52    51    54    56   0.13050  1.0 3.0
   52    51    54    59   0.17350  1.0 3.0
   55    54    59    50   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   56    54    59    50   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   59    50    53    57   0.04150 -1.0 2.0
   59    50    53    72   0.04150 -1.0 2.0
   67    63    65    66   3.62500 -1.0 2.0
   67    63    65    72   3.62500 -1.0 2.0
   64    62    63    65   3.62500 -1.0 2.0
   64    62    63    67   3.62500 -1.0 2.0
   43    38    40    41   0.23400  1.0 3.0
   43    38    40    42   0.23400  1.0 3.0
   43    38    40    45   0.86500  1.0 1.0
   43    38    40    45  -0.17500 -1.0 2.0
   43    38    40    45   0.20800  1.0 3.0
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
   57    72    53    50   4.00000 -1.0 2.0
   62    58    57    53   1.10000 -1.0 2.0
   63    64    62    57   4.00000 -1.0 2.0
   65    67    63    62   4.00000 -1.0 2.0
   72    66    65    63   1.10000 -1.0 2.0
   65    77    72    53   4.00000 -1.0 2.0
END
