* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    154    246     456
    1     0 S   NP   _N1_     1    29.28003    92.28382   -23.53817
    2     1 S   H    _HN1     2     1.02778   104.13831   -90.34223
    3     1 S   H    _H1_     3     1.02959    95.83753    20.27597
    4     1 S   H    _H2_     4     1.02839    14.28032   162.62081
    5     1 S   CT   _CA1     5     1.50117   124.02279   139.74954
    6     5 S   HC   _HA1     6     1.09572   105.24467    65.13314
    7     5 S   CO3  _C1_     7     1.53794   112.34746   -55.12990
    8     7 S   O2Z  _O11     8     1.26363   114.99600   -44.13864
    9     7 S   O2Z  _O12     9     1.26234   114.91651   135.02077
   10     5 S   CT   _CB1    10     1.53088   107.44273  -176.90509
   11    10 S   HC   HB11    11     1.09825   109.39434   -50.21753
   12    10 S   HC   HB12    12     1.09830   110.39691    66.33444
   13    10 S   CT   _CG1    13     1.53040   112.67892  -171.29963
   14    13 S   HC   HG11    14     1.09590   110.44209   -62.74967
   15    13 S   HC   HG12    15     1.09639   110.05313    56.55011
   16    13 S   C    _CD1    16     1.51760   112.17226   176.91529
   17    16 S   O    _OE1    17     1.22808   123.17454    -2.85629
   18    16 S   N    _N2_    18     1.38667   111.80374   176.90763
   19    18 S   H    _HN2    19     1.01600   119.15333     1.10606
   20    18 S   CT1  _CA2    20     1.46040   123.13066  -178.85722
   21    20 S   HC   _HA2    21     1.09539   109.06385   -11.79749
   22    20 S   C    _C2_    22     1.53431   108.96935  -126.65130
   23    22 S   O    _O2_    23     1.23029   122.07012  -148.80566
   24    20 S   CT   _CB2    32     1.53556   112.05657   110.59684
   25    24 S   HC   HB21    33     1.09681   109.23799    65.53790
   26    24 S   HC   HB22    34     1.09491   110.78608  -177.85826
   27    22 S   N    _N3_    24     1.38463   113.46813    38.94011
   28    27 S   H    _HN3    25     1.01509   118.94092    -1.00697
   29    24 S   S    _SG2    35     1.83129   115.42331   -53.68979
   30    27 S   CT   _CA3    26     1.45440   123.40386   174.15410
   31    30 S   HC   HA31    27     1.09528   109.12766    26.18672
   32    30 S   HC   HA32    28     1.09488   107.13921   143.26283
   33    29 S   CT   _C19    36     1.84208   101.24263   -65.59062
   34    33 S   HC   _H5_    37     1.09232   107.62875    40.37152
   35    30 S   CO3  _C3_    29     1.52978   113.26802   -97.13596
   36    35 S   O2Z  _O31    30     1.26397   115.54943   -39.24898
   37    35 S   O2Z  _O32    31     1.26373   114.87111   141.65879
   38    33 S   CT   _C18    38     1.52875   109.74712   -78.64886
   39    38 S   HC   _H23    39     1.09587   110.91499    60.81919
   40    38 S   HC   _H24    40     1.09779   110.69967   -57.98653
   41    38 S   CT   _C17    41     1.52340   110.29481  -179.01802
   42    41 S   HC   _H21    42     1.09667   109.61931   179.54115
   43    41 S   HC   _H22    43     1.09615   109.17619   -64.37919
   44    41 S   CT   _C16    44     1.52535   109.88065    59.00458
   45    44 S   HC   _H4_    45     1.09899   108.62998    73.06250
   46    44 S   CT   _C12    46     1.54104   115.92971   -55.31306
   47    44 S   NP   _N4_    58     1.51767   110.12526  -168.39502
   48    47 S   H    _H3_    59     1.02907   111.54526   -39.29838
   49    46 S   CA   _C8_    47     1.55567   107.18970   172.68059
   50    47 S   CT   _C14    60     1.52241   105.90329    80.78378
   51    50 S   HC   _H17    61     1.09445   107.13075   -96.16889
   52    50 S   HC   _H18    62     1.09411   109.47019   145.17163
   53    33 S   CT   _C20    76     1.55032   109.11033   157.86254
   54    53 S   HC   _H6_    77     1.09837   108.77950    50.72815
   55    49 S   CA   _C9_    48     1.40400   122.96452  -148.00099
   56    55 S   HA   _H11    49     1.08273   119.33894     1.10092
   57    46 S   CT   _C13    63     1.54859   102.14119   -74.52518
   58    57 S   HC   _H15    64     1.09628   112.83203  -152.67365
   59    57 S   HC   _H16    65     1.09579   111.99807    87.14084
   60    53 S   OH   _O35    78     1.43342   108.62405   -65.69178
   61    60 S   HO   _H25    79     0.97350   108.84014   -45.70545
   62    55 S   CA   _C10    50     1.40343   121.39179  -178.80237
   63    62 S   CA   _C5_    51     1.40551   119.90344     0.16071
   64    62 S   OS   _O34    71     1.37468   124.44635  -179.89721
   65    63 S   CA   _C6_    52     1.39656   119.44250     0.13848
   66    65 S   HA   _H10    53     1.08636   121.24401  -179.87028
   67    63 S   OS   _O33    66     1.37319   115.93232  -179.86438
   68    64 S   CT   _C11    72     1.42241   117.58686    -0.07913
   69    68 S   HC   _H12    73     1.09429   107.71985  -180.00000
   70    68 S   HC   _H13    74     1.09494   111.14706    62.33673
   71    68 S   HC   _H14    75     1.09496   111.14948   -62.31360
   72    49 S   CA   _C7_    54     1.41687   118.98206    33.91974
   73    67 S   CT   _C4_    67     1.42215   117.45119  -179.87646
   74    73 S   HC   _H7_    68     1.09428   107.74202   179.90721
   75    73 S   HC   _H8_    69     1.09494   111.14140    62.19103
   76    73 S   HC   _H9_    70     1.09493   111.13518   -62.37934
   77    72 S   CT   _C15    55     1.51097   120.50058    -2.39898
   78    77 S   HC   _H19    56     1.09541   111.67856   129.00689
   79    77 S   HC   _H20    57     1.09605   109.96814  -109.94709
  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
  15   8   2   1   1  12   6   5  12   5   4  19   8  19  14   8
  18  10   5   4   8   3  10   4   5   1   1   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    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    53    54    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    49    57    53    54    60    61  
   38    39    40    41    46    53    54    60  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    53    54    60  
   40    41    42    43    44    53  
   41    42    43    44    53  
   42    43    44    45    46    49    77    47    48    50    57    53  
   43    44    45    46    47  
   44    45    46    47  
   45    46    49    55    72    77    78    79    47    48    50    51    52    57    58    59    53    54    60  
   46    49    77    47    48    50    57    53  
   49    55    56    62    65    72    77    47    48    50    51    52    57    58    59    53    54    60    61  
   48    50    51    52    57    58    59    53    49    65    72    77    78    79  
   50    51    52    57    72    77    78    79  
   55    56    62    63    65    66    72    77    78    79    50    57    58    59    64    53    54    60  
   51    52    57    58    59    53    72    77    78    79  
   52    57    58    59    77  
   57    58    59    77  
   54    60    61    55    57    58    59    72  
   60    61    57  
   56    62    63    65    72    77    57    67    64    68  
   62    63    72    64  
   58    59    60    72    77  
   59  
    0  
   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   1.4250   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   1.6450   1.4500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   48   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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    53   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   268.000  1.529
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    47   367.000  1.471
   46    49   317.000  1.510
   46    57   268.000  1.529
   46    53   268.000  1.529
   49    55   469.000  1.400
   49    72   469.000  1.400
   55    56   367.000  1.080
   55    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    47   367.000  1.471
   47    48   434.000  1.010
   47    50   367.000  1.471
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   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
   53    54   340.000  1.090
   53    60   320.000  1.410
   60    61   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    53    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    53    46    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    60    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    37.50000  110.70000
   38    41    44    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    58.35000  112.70000
   41    44    47    80.00000  111.20000
   43    41    42    33.00000  107.80000
   44    41    42    37.50000  110.70000
   44    41    43    37.50000  110.70000
   44    46    49    70.00000  112.17500
   44    46    57    58.35000  112.70000
   44    46    53    58.35000  112.70000
   44    47    77    75.00000  113.01200
   44    47    48    35.00000  109.50000
   44    47    50    75.00000  113.01200
   46    44    45    37.50000  110.70000
   46    49    55    70.00000  120.00000
   46    49    72    70.00000  120.00000
   46    57    50    58.35000  112.70000
   46    57    58    37.50000  110.70000
   46    57    59    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    60    50.00000  109.50000
   49    55    56    35.00000  120.00000
   49    55    62    63.00000  120.00000
   49    72    65    63.00000  120.00000
   49    72    77    70.00000  120.00000
   55    62    63    63.00000  120.00000
   55    62    64    70.00000  120.00000
   62    55    56    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    49    55    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    47    75.00000  110.83300
   77    47    48    35.00000  109.50000
   77    47    50    75.00000  113.01200
   79    77    78    33.00000  107.80000
   47    44    45    35.00000  109.50000
   47    44    46    80.00000  111.20000
   47    77    78    35.00000  109.50000
   47    77    79    35.00000  109.50000
   47    50    51    35.00000  109.50000
   47    50    52    35.00000  109.50000
   47    50    57    80.00000  111.20000
   50    47    48    35.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   52    50    51    33.00000  107.80000
   57    46    49    70.00000  112.17500
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   59    57    58    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
   53    33    34    37.50000  110.70000
   53    33    38    58.35000  112.70000
   53    46    49    70.00000  112.17500
   53    46    57    58.35000  112.70000
   53    60    61    55.00000  108.50000
   60    53    54    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   0.32350  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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   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   0.44750  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    53    46   0.44750  1.0 1.0
   29    33    53    46  -0.17800 -1.0 2.0
   29    33    53    46   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    60   0.56750  1.0 1.0
   29    33    53    60  -0.07550 -1.0 2.0
   29    33    53    60   0.20000  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   0.56750  1.0 1.0
   33    38    41    44  -0.07550 -1.0 2.0
   33    38    41    44   0.20000  1.0 3.0
   33    53    60    61  -0.11600  1.0 1.0
   33    53    60    61  -0.09450 -1.0 2.0
   33    53    60    61   0.21250  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    53    46   0.15000  1.0 3.0
   34    33    53    54   0.15000  1.0 3.0
   34    33    53    60   0.23400  1.0 3.0
   38    33    53    46   0.56750  1.0 1.0
   38    33    53    46  -0.07550 -1.0 2.0
   38    33    53    46   0.20000  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    60   0.86500  1.0 1.0
   38    33    53    60  -0.17500 -1.0 2.0
   38    33    53    60   0.20800  1.0 3.0
   38    41    44    45   0.15000  1.0 3.0
   38    41   -44    46   0.56750  1.0 1.0
   38    41   -44    46  -0.07550 -1.0 2.0
   38    41   -44    46   0.20000  1.0 3.0
   38    41    44    47   1.36600  1.0 1.0
   38    41    44    47  -0.11450 -1.0 2.0
   38    41    44    47   0.24250  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
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.15000  1.0 3.0
   41    44    46    49  -0.03700  1.0 1.0
   41    44    46    49   0.37200 -1.0 2.0
   41    44    46    49  -0.47300  1.0 3.0
   41    44    46    57   0.56750  1.0 1.0
   41    44    46    57  -0.07550 -1.0 2.0
   41    44    46    57   0.20000  1.0 3.0
   41    44    46    53   0.56750  1.0 1.0
   41    44    46    53  -0.07550 -1.0 2.0
   41    44    46    53   0.20000  1.0 3.0
   41    44    47    77   0.47100  1.0 1.0
   41    44    47    48   0.17350  1.0 3.0
   41    44    47    50   0.47100  1.0 1.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    46   0.15000  1.0 3.0
   42    41    44    47   0.19200  1.0 3.0
   43    41    44    45   0.15000  1.0 3.0
   43    41    44    46   0.15000  1.0 3.0
   43    41    44    47   0.19200  1.0 3.0
   44    46    49    55   0.04150 -1.0 2.0
   44    46    49    72   0.04150 -1.0 2.0
   44    46   -57    50   0.56750  1.0 1.0
   44    46   -57    50  -0.07550 -1.0 2.0
   44    46   -57    50   0.20000  1.0 3.0
   44    46    57    58   0.15000  1.0 3.0
   44    46    57    59   0.15000  1.0 3.0
   44    46   -53    33   0.56750  1.0 1.0
   44    46   -53    33  -0.07550 -1.0 2.0
   44    46   -53    33   0.20000  1.0 3.0
   44    46    53    54   0.15000  1.0 3.0
   44    46    53    60   0.86500  1.0 1.0
   44    46    53    60  -0.17500 -1.0 2.0
   44    46    53    60   0.20800  1.0 3.0
   44    47    50    51   0.15000  1.0 3.0
   44    47    50    52   0.15000  1.0 3.0
   44    47   -50    57   0.47100  1.0 1.0
   45    44    46    49   0.43200  1.0 3.0
   45    44    46    57   0.15000  1.0 3.0
   45    44    46    53   0.15000  1.0 3.0
   45    44    47    77   0.15000  1.0 3.0
   45    44    47    48   0.13050  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    77   0.47100  1.0 1.0
   46    44    47    48   0.17350  1.0 3.0
   46    44   -47    50   0.47100  1.0 1.0
   46    49    55    56   3.62500 -1.0 2.0
   46    49    55    62   3.62500 -1.0 2.0
   46    49    72    65   3.62500 -1.0 2.0
   46    49   -72    77   3.62500 -1.0 2.0
   46    53    60    61  -0.11600  1.0 1.0
   46    53    60    61  -0.09450 -1.0 2.0
   46    53    60    61   0.21250  1.0 3.0
   49    46    57    50  -0.03700  1.0 1.0
   49    46    57    50   0.37200 -1.0 2.0
   49    46    57    50  -0.47300  1.0 3.0
   49    46    57    58   0.43200  1.0 3.0
   49    46    57    59   0.43200  1.0 3.0
   49    46    53    33  -0.03700  1.0 1.0
   49    46    53    33   0.37200 -1.0 2.0
   49    46    53    33  -0.47300  1.0 3.0
   49    46    53    54   0.43200  1.0 3.0
   49    46    53    60   1.13150  1.0 1.0
   49    46    53    60  -1.01400 -1.0 2.0
   49    55    62    63   3.62500 -1.0 2.0
   49    55    62    64   3.62500 -1.0 2.0
   49    72    77    78   0.00000  1.0 1.0
   49    72    77    79   0.00000  1.0 1.0
   49    72    77    47  -0.46400 -1.0 2.0
   55    49    72    65   3.62500 -1.0 2.0
   55    49    72    77   3.62500 -1.0 2.0
   55    62   -63    65   3.62500 -1.0 2.0
   55    62    63    67   3.62500 -1.0 2.0
   55    62    64    68   1.63200 -1.0 2.0
   56    55    62    63   3.62500 -1.0 2.0
   56    55    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    49   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    47  -0.46400 -1.0 2.0
   66    65    72    49   3.62500 -1.0 2.0
   66    65    72    77   3.62500 -1.0 2.0
   72    49    55    56   3.62500 -1.0 2.0
   72    49   -55    62   3.62500 -1.0 2.0
   72    77   -47    44   0.03550  1.0 1.0
   72    77   -47    44   0.09800 -1.0 2.0
   72    77    47    48   0.17350  1.0 3.0
   72    77    47    50   0.03550  1.0 1.0
   72    77    47    50   0.09800 -1.0 2.0
   77    47    50    51   0.15000  1.0 3.0
   77    47    50    52   0.15000  1.0 3.0
   77    47    50    57   0.47100  1.0 1.0
   78    77    47    44   0.15000  1.0 3.0
   78    77    47    48   0.13050  1.0 3.0
   78    77    47    50   0.15000  1.0 3.0
   79    77    47    44   0.15000  1.0 3.0
   79    77    47    48   0.13050  1.0 3.0
   79    77    47    50   0.15000  1.0 3.0
   47    44   -46    49   1.24050  1.0 1.0
   47    44   -46    49   0.48100 -1.0 2.0
   47    44   -46    49   1.08150  1.0 3.0
   47    44   -46    57   1.36600  1.0 1.0
   47    44   -46    57  -0.11450 -1.0 2.0
   47    44   -46    57   0.24250  1.0 3.0
   47    44    46    53   1.36600  1.0 1.0
   47    44    46    53  -0.11450 -1.0 2.0
   47    44    46    53   0.24250  1.0 3.0
   47    50   -57    46   1.36600  1.0 1.0
   47    50   -57    46  -0.11450 -1.0 2.0
   47    50   -57    46   0.24250  1.0 3.0
   47    50    57    58   0.19200  1.0 3.0
   47    50    57    59   0.19200  1.0 3.0
   48    47    50    51   0.13050  1.0 3.0
   48    47    50    52   0.13050  1.0 3.0
   48    47    50    57   0.17350  1.0 3.0
   51    50    57    46   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   52    50    57    46   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   57    46    49    55   0.04150 -1.0 2.0
   57    46    49    72   0.04150 -1.0 2.0
   57    46    53    33   0.56750  1.0 1.0
   57    46    53    33  -0.07550 -1.0 2.0
   57    46    53    33   0.20000  1.0 3.0
   57    46    53    54   0.15000  1.0 3.0
   57    46    53    60   0.86500  1.0 1.0
   57    46    53    60  -0.17500 -1.0 2.0
   57    46    53    60   0.20800  1.0 3.0
   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
   53    33    38    39   0.15000  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33   -38    41   0.56750  1.0 1.0
   53    33   -38    41  -0.07550 -1.0 2.0
   53    33   -38    41   0.20000  1.0 3.0
   53    46    49    55   0.04150 -1.0 2.0
   53    46    49    72   0.04150 -1.0 2.0
   53    46    57    50   0.56750  1.0 1.0
   53    46    57    50  -0.07550 -1.0 2.0
   53    46    57    50   0.20000  1.0 3.0
   53    46    57    58   0.15000  1.0 3.0
   53    46    57    59   0.15000  1.0 3.0
   54    53    60    61   0.19450  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
   55    72    49    46   4.00000 -1.0 2.0
   62    56    55    49   1.10000 -1.0 2.0
   63    64    62    55   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    49   4.00000 -1.0 2.0
END
