* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    141    223     415
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02123    92.54343   -64.87495
    3     1 S   H    _H1_     3     1.02060    87.97891    43.74106
    4     1 S   H    _H2_     4     1.02115    33.05711   173.85812
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08639   110.43529    58.94977
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C5_    36     1.85637   100.98481   -79.97409
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C6_    37     1.56003   109.57232   180.00000
   38    37 S   HC   _H6_    38     1.10378   108.91946  -162.51545
   39    37 S   HC   _H7_    39     1.10619   109.33908    83.48073
   40    33 S   OH   _O38    75     1.42659   111.32667    60.06106
   41    40 S   HO   _H20    76     0.97115   106.71076  -179.42802
   42    33 S   S    _S1_    77     1.85889   107.49928   -60.99705
   43    37 S   CA   _C7_    40     1.49459   116.56674   -41.65447
   44    42 S   CT   _C4_    78     1.81129   100.94397  -178.99517
   45    44 S   HC   _H3_    79     1.09331   109.91074  -179.97202
   46    44 S   HC   _H4_    80     1.09227   109.86491    60.05849
   47    44 S   HC   _H5_    81     1.09303   109.86822   -59.95246
   48    43 S   CA   _C8_    41     1.39425   118.72644   -76.98066
   49    48 S   HA   _H8_    42     1.08908   119.32601    -0.04423
   50    48 S   CA   _C9_    43     1.40449   120.75480   179.95154
   51    50 S   CA   _C10    44     1.40518   121.44750   179.97202
   52    51 S   HA   _H9_    45     1.09018   119.34597     0.04846
   53    50 S   CA   _C18    56     1.41258   119.27601    -0.02798
   54    51 S   CA   _C11    46     1.40469   121.39228   179.96574
   55    53 S   CA   _C19    57     1.40455   119.21133    -0.01978
   56    54 S   CA   _C12    47     1.40544   121.44842  -180.00000
   57    56 S   HA   _H10    48     1.08812   120.44030     0.00000
   58    43 S   CA   _C20    58     1.39104   121.26419   102.94714
   59    55 S   OH   _O35    69     1.36889   122.19879  -179.95154
   60    59 S   HO   _H17    70     0.96722   109.90642  -180.00000
   61    56 S   CA   _C13    49     1.39455   120.74629  -180.00000
   62    61 S   HA   _H11    50     1.08636   119.90149  -179.93744
   63    58 S   CO4  _C21    59     1.46047   119.83274     0.00000
   64    63 S   O    _O33    60     1.24460   120.56871   -89.19231
   65    61 S   CA   _C14    51     1.39041   120.02099    -0.02798
   66    65 S   HA   _H12    52     1.08662   119.52870  -179.94065
   67    63 S   CT   _C22    61     1.53278   119.81595    90.01397
   68    67 S   HC   _H13    62     1.09574   108.70950    29.95997
   69    67 S   HC   _H14    63     1.09507   107.58523   -87.98695
   70    65 S   CA   _C15    53     1.39572   119.98713    -0.02798
   71    67 S   C    _C23    64     1.51350   115.14786   148.92506
   72    71 S   O    _O34    65     1.22943   122.59849   -30.61931
   73    54 S   CA   _C16    54     1.41216   119.30228     0.01978
   74    71 S   N    _N4_    66     1.37556   113.73664   149.63258
   75    74 S   H    _H15    67     1.01510   118.60067     0.01978
   76    74 S   H    _H16    68     1.01434   122.80698  -179.97202
   77    70 S   OH   _O37    73     1.36585   116.02140   179.97202
   78    77 S   HO   _H19    74     0.96892   110.00014     0.04846
   79    73 S   CA   _C17    55     1.40477   119.33484     0.02798
   80    79 S   OH   _O36    71     1.37019   119.19766  -179.96044
   81    80 S   HO   _H18    72     0.96778   109.73274    -0.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   2   1   1  13   6   5   4   1   5  11   3   2   1   1  10
   4  11  10   4  11  10   9   8   4   9   3   1   6   3   7   4
   6   3   7   4   3   5   4   3   5   2   1   1   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    43    40    41    42    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    43    48    58    40    41    42    44    45    46    47  
   35    36  
   36  
    0  
   38    39    43    48    49    50    55    58    63    40    41    42    44  
   39    43    48    58    40    42  
   43    48    58    40    42  
   41    42    44    43  
   42  
   44    45    46    47    43  
   48    49    50    51    53    55    58    63    64    67    59  
   45    46    47  
   46    47  
   47  
    0  
   49    50    51    52    54    79    53    55    58    63  
   50    51    53    58  
   51    52    54    56    73    79    53    55    58    59    80  
   52    54    56    57    61    70    73    79    53    55  
   54    56    73    53  
   55    58    63    59    60    80    81    54    70    73    79  
   56    57    61    62    65    70    73    79    80    77  
   58    63    64    67    59    60    80    73    79  
   57    61    62    65    66    70    73    79  
   61    62    65    73  
   63    64    67    68    69    71    59    60    79  
   60    63    79  
    0  
   62    65    66    70    73    77  
   65    66    70  
   64    67    68    69    71    72    74  
   67    68    69    71  
   66    70    73    79    77    78  
   70    73    77  
   68    69    71    72    74    75    76  
   69    71    72    74  
   71    72    74  
   73    79    80    77    78  
   72    74    75    76  
   74    75    76  
   79    80    81    77    78  
   75    76  
   76  
    0  
   78    79  
    0  
   80    81  
   81  
    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   0.600000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   73   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   75   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   76   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    40   320.000  1.410
   33    42   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    43   317.000  1.510
   43    48   469.000  1.400
   43    58   469.000  1.400
   48    49   367.000  1.080
   48    50   469.000  1.400
   50    51   469.000  1.400
   50    53   469.000  1.400
   51    52   367.000  1.080
   51    54   469.000  1.400
   54    56   469.000  1.400
   54    73   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    73   469.000  1.400
   70    77   450.000  1.364
   73    79   469.000  1.400
   79    53   469.000  1.400
   79    80   450.000  1.364
   53    55   469.000  1.400
   55    58   469.000  1.400
   55    59   450.000  1.364
   58    63   310.000  1.470
   63    64   570.000  1.229
   63    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   317.000  1.522
   71    72   570.000  1.229
   71    74   490.000  1.335
   74    75   434.000  1.010
   74    76   434.000  1.010
   59    60   553.000  0.945
   80    81   553.000  0.945
   77    78   553.000  0.945
   40    41   553.000  0.945
   42    44   222.000  1.810
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    40    85.00000  114.68000
   29    33    42    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    43    70.00000  112.17500
   33    40    41    55.00000  108.50000
   33    42    44    62.00000   98.90000
   37    43    48    70.00000  120.00000
   37    43    58    70.00000  120.00000
   39    37    38    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    39    35.00000  109.50000
   43    48    49    35.00000  120.00000
   43    48    50    63.00000  120.00000
   43    58    55    63.00000  120.00000
   43    58    63    60.00000  119.52600
   48    50    51    63.00000  120.00000
   48    50    53    63.00000  120.00000
   50    48    49    35.00000  120.00000
   50    51    52    35.00000  120.00000
   50    51    54    63.00000  120.00000
   50    53    79    63.00000  120.00000
   50    53    55    63.00000  120.00000
   51    54    56    63.00000  120.00000
   51    54    73    63.00000  120.00000
   54    51    52    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    56    61    63.00000  120.00000
   54    73    70    63.00000  120.00000
   54    73    79    63.00000  120.00000
   56    61    62    35.00000  120.00000
   56    61    65    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    65    66    35.00000  120.00000
   61    65    70    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    70    73    63.00000  120.00000
   65    70    77    70.00000  120.00000
   70    65    66    35.00000  120.00000
   70    73    79    63.00000  120.00000
   70    77    78    35.00000  113.00000
   73    54    56    63.00000  120.00000
   73    79    53    63.00000  120.00000
   73    79    80    70.00000  120.00000
   79    53    55    63.00000  120.00000
   79    80    81    35.00000  113.00000
   53    50    51    63.00000  120.00000
   53    55    58    63.00000  120.00000
   53    55    59    70.00000  120.00000
   55    58    63    60.00000  119.52600
   55    59    60    35.00000  113.00000
   58    43    48    63.00000  120.00000
   58    63    64    75.00000  123.78400
   58    63    67    65.00000  115.47100
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    71    70.00000  107.85200
   67    63    64    80.00000  120.40000
   67    71    72    80.00000  120.40000
   67    71    74    70.00000  116.60000
   69    67    68    33.00000  107.80000
   71    67    68    35.00000  109.50000
   71    67    69    35.00000  109.50000
   71    74    75    35.00000  119.80000
   71    74    76    35.00000  119.80000
   74    71    72    80.00000  122.90000
   76    74    75    35.00000  120.00000
   59    55    58    70.00000  120.00000
   80    79    53    70.00000  120.00000
   77    70    73    70.00000  120.00000
   40    33    37    50.00000  109.50000
   42    33    37    75.00000  111.63000
   42    33    40    85.00000  114.68000
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   24    29    33    42   0.08500  1.0 1.0
   24    29    33    42  -0.53150 -1.0 2.0
   24    29    33    42   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   29    33    42    44   0.08500  1.0 1.0
   29    33    42    44  -0.53150 -1.0 2.0
   29    33    42    44   0.48050  1.0 3.0
   33    37    43    48   0.04150 -1.0 2.0
   33    37    43    58   0.04150 -1.0 2.0
   33    42    44    45   0.32350  1.0 3.0
   33    42    44    46   0.32350  1.0 3.0
   33    42    44    47   0.32350  1.0 3.0
   37    33    40    41  -0.11600  1.0 1.0
   37    33    40    41  -0.09450 -1.0 2.0
   37    33    40    41   0.21250  1.0 3.0
   37    33    42    44   0.01700  1.0 1.0
   37    33    42    44  -0.23550 -1.0 2.0
   37    33    42    44   0.21350  1.0 3.0
   37    43    48    49   3.62500 -1.0 2.0
   37    43    48    50   3.62500 -1.0 2.0
   37    43    58    55   3.62500 -1.0 2.0
   37    43    58    63   3.62500 -1.0 2.0
   38    37    43    48   0.00000  1.0 1.0
   38    37    43    58   0.00000  1.0 1.0
   39    37    43    48   0.00000  1.0 1.0
   39    37    43    58   0.00000  1.0 1.0
   43    48    50    51   3.62500 -1.0 2.0
   43    48    50    53   3.62500 -1.0 2.0
   43    58    63    64   1.05000 -1.0 2.0
   43    58    63    67   2.26350  1.0 1.0
   43    58    63    67   0.76750 -1.0 2.0
   43    58    63    67   0.22500  1.0 3.0
   48    43    58    55   3.62500 -1.0 2.0
   48    43    58    63   3.62500 -1.0 2.0
   48    50    51    52   3.62500 -1.0 2.0
   48    50    51    54   3.62500 -1.0 2.0
   48    50    53    79   3.62500 -1.0 2.0
   48    50   -53    55   3.62500 -1.0 2.0
   49    48    50    51   3.62500 -1.0 2.0
   49    48    50    53   3.62500 -1.0 2.0
   50    51    54    56   3.62500 -1.0 2.0
   50    51    54    73   3.62500 -1.0 2.0
   50    53    55    58   3.62500 -1.0 2.0
   50    53    55    59   3.62500 -1.0 2.0
   51    50    53    79   3.62500 -1.0 2.0
   51    50    53    55   3.62500 -1.0 2.0
   51    54    56    57   3.62500 -1.0 2.0
   51    54    56    61   3.62500 -1.0 2.0
   51    54    73    70   3.62500 -1.0 2.0
   51    54   -73    79   3.62500 -1.0 2.0
   52    51    54    56   3.62500 -1.0 2.0
   52    51    54    73   3.62500 -1.0 2.0
   54    56    61    62   3.62500 -1.0 2.0
   54    56    61    65   3.62500 -1.0 2.0
   54    73    79    53   3.62500 -1.0 2.0
   54    73    79    80   3.62500 -1.0 2.0
   56    54    73    70   3.62500 -1.0 2.0
   56    54    73    79   3.62500 -1.0 2.0
   56    61    65    66   3.62500 -1.0 2.0
   56    61   -65    70   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    65   3.62500 -1.0 2.0
   61    65    70    73   3.62500 -1.0 2.0
   61    65    70    77   3.62500 -1.0 2.0
   62    61    65    66   3.62500 -1.0 2.0
   62    61    65    70   3.62500 -1.0 2.0
   65    70   -73    54   3.62500 -1.0 2.0
   65    70    73    79   3.62500 -1.0 2.0
   65    70    77    78   0.84100 -1.0 2.0
   66    65    70    73   3.62500 -1.0 2.0
   66    65    70    77   3.62500 -1.0 2.0
   70    73    79    53   3.62500 -1.0 2.0
   70    73    79    80   3.62500 -1.0 2.0
   73    54    56    57   3.62500 -1.0 2.0
   73    54   -56    61   3.62500 -1.0 2.0
   73    70    77    78   0.84100 -1.0 2.0
   73    79   -53    50   3.62500 -1.0 2.0
   73    79    53    55   3.62500 -1.0 2.0
   73    79    80    81   0.84100 -1.0 2.0
   79    53    55    58   3.62500 -1.0 2.0
   79    53    55    59   3.62500 -1.0 2.0
   53    50    51    52   3.62500 -1.0 2.0
   53    50   -51    54   3.62500 -1.0 2.0
   53    79    80    81   0.84100 -1.0 2.0
   53    55   -58    43   3.62500 -1.0 2.0
   53    55    58    63   3.62500 -1.0 2.0
   53    55    59    60   0.84100 -1.0 2.0
   55    58    63    64   1.05000 -1.0 2.0
   55    58    63    67   2.26350  1.0 1.0
   55    58    63    67   0.76750 -1.0 2.0
   55    58    63    67   0.22500  1.0 3.0
   58    43    48    49   3.62500 -1.0 2.0
   58    43   -48    50   3.62500 -1.0 2.0
   58    55    59    60   0.84100 -1.0 2.0
   58    63    67    68   0.00000  1.0 1.0
   58    63    67    69   0.00000  1.0 1.0
   58    63    67    71   0.65300  1.0 1.0
   58    63    67    71  -0.03850 -1.0 2.0
   58    63    67    71   0.33900  1.0 3.0
   63    67    71    72   0.30150 -1.0 2.0
   63    67    71    74   0.00000  1.0 1.0
   64    63    67    68   0.00000  1.0 1.0
   64    63    67    69   0.00000  1.0 1.0
   64    63    67    71   0.30150 -1.0 2.0
   67    71    74    75   2.45000 -1.0 2.0
   67    71    74    76   2.45000 -1.0 2.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    74   0.00000  1.0 1.0
   69    67    71    72   0.00000  1.0 1.0
   69    67    71    74   0.00000  1.0 1.0
   72    71    74    75   2.45000 -1.0 2.0
   72    71    74    76   2.45000 -1.0 2.0
   59    55    58    43   3.62500 -1.0 2.0
   59    55    58    63   3.62500 -1.0 2.0
   80    79    53    50   3.62500 -1.0 2.0
   80    79    53    55   3.62500 -1.0 2.0
   77    70    73    54   3.62500 -1.0 2.0
   77    70    73    79   3.62500 -1.0 2.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    39   0.23400  1.0 3.0
   40    33    37    43   1.13150  1.0 1.0
   40    33    37    43  -1.01400 -1.0 2.0
   40    33    42    44   0.13850  1.0 1.0
   40    33    42    44  -1.34450 -1.0 2.0
   40    33    42    44   0.57400  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    43   0.56750  1.0 1.0
   42    33    37    43  -0.07550 -1.0 2.0
   42    33    37    43   0.20000  1.0 3.0
   42    33    40    41   0.35600  1.0 1.0
   42    33    40    41  -0.10750 -1.0 2.0
   42    33    40    41  -0.54400  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
   35    30    34    36  10.50000 -1.0 2.0
   48    58    43    37   4.00000 -1.0 2.0
   50    49    48    43   1.10000 -1.0 2.0
   51    53    50    48   4.00000 -1.0 2.0
   54    52    51    50   1.10000 -1.0 2.0
   56    73    54    51   4.00000 -1.0 2.0
   61    57    56    54   1.10000 -1.0 2.0
   65    62    61    56   1.10000 -1.0 2.0
   70    66    65    61   1.10000 -1.0 2.0
   73    77    70    65   4.00000 -1.0 2.0
   70    79    73    54   4.00000 -1.0 2.0
   53    80    79    73   4.00000 -1.0 2.0
   79    55    53    50   4.00000 -1.0 2.0
   58    59    55    53   4.00000 -1.0 2.0
   55    63    58    43   4.00000 -1.0 2.0
   58    67    63    64  10.50000 -1.0 2.0
   67    74    71    72  10.50000 -1.0 2.0
   76    71    74    75   1.00000 -1.0 2.0
END
