* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    149    250     438
    1     0 S   NP   _N1_     1    29.14909    97.62739   -19.21270
    2     1 S   H    _HN1     2     1.02958    87.48426    51.59062
    3     1 S   H    _H1_     3     1.02834    47.76318   167.39550
    4     1 S   H    _H2_     4     1.02774    73.75062   -58.37225
    5     1 S   CT   _CA1     5     1.50158   156.74742  -167.13879
    6     5 S   HC   _HA1     6     1.09585   105.13506    39.14484
    7     5 S   CO3  _C1_     7     1.53727   112.45354   -80.75888
    8     7 S   O2Z  _O11     8     1.26355   114.96427   -41.01259
    9     7 S   O2Z  _O12     9     1.26219   114.85882   137.98392
   10     5 S   CT   _CB1    10     1.53094   107.38485   156.85108
   11    10 S   HC   HB11    11     1.09805   108.95979   -51.46634
   12    10 S   HC   HB12    12     1.09817   110.53807    64.95980
   13    10 S   CT   _CG1    13     1.53005   112.80709  -172.77933
   14    13 S   HC   HG11    14     1.09514   110.28408   -67.06729
   15    13 S   HC   HG12    15     1.09660   110.10089    51.84341
   16    13 S   C    _CD1    16     1.51898   112.36802   171.43455
   17    16 S   O    _OE1    17     1.22741   123.14152   -13.95875
   18    16 S   N    _N2_    18     1.38547   111.79204   167.91600
   19    18 S   H    _HN2    19     1.01601   118.92593    -2.66925
   20    18 S   CT1  _CA2    20     1.46286   123.56127   176.71878
   21    20 S   HC   _HA2    21     1.09740   109.31930   -16.47706
   22    20 S   C    _C2_    22     1.53514   107.91007  -131.81558
   23    22 S   O    _O2_    23     1.23006   122.34166  -145.77454
   24    20 S   CT   _CB2    32     1.53372   111.58801   106.12086
   25    24 S   HC   HB21    33     1.09307   109.35868    52.05128
   26    24 S   HC   HB22    34     1.09509   110.61249   170.12128
   27    22 S   N    _N3_    24     1.38544   113.30660    41.60927
   28    27 S   H    _HN3    25     1.01533   118.89468    -0.67637
   29    24 S   S    _SG2    35     1.82927   111.65692   -71.49647
   30    27 S   CT   _CA3    26     1.45450   123.51094   175.10747
   31    30 S   HC   HA31    27     1.09521   109.29131    23.16951
   32    30 S   HC   HA32    28     1.09498   107.10247   140.18937
   33    29 S   CT   _C9_    36     1.89734   101.80253   141.31487
   34    30 S   CO3  _C3_    29     1.52928   113.09810  -100.34464
   35    34 S   O2Z  _O31    30     1.26410   115.41392   -44.01258
   36    34 S   O2Z  _O32    31     1.26357   114.97342   136.91715
   37    33 S   CA   _C13    37     1.52654   107.41071   -69.31017
   38    33 S   CT   _C8_    58     1.57088   109.05009    58.32901
   39    38 S   HC   _H10    59     1.09375   114.12469   -48.29916
   40    38 S   HC   _H11    60     1.09709   110.54568  -168.43474
   41    37 S   CA   _C14    38     1.40083   122.26967   110.44759
   42    41 S   HA   _H12    39     1.08645   121.07834     0.75017
   43    38 S   C4T  _C7_    61     1.52965   104.48167    73.70907
   44    43 S   HC   _H5_    62     1.09713   113.25829   -87.20469
   45    41 S   CA   _C15    40     1.40072   121.16218  -178.82347
   46    45 S   HA   _H13    41     1.08834   118.15864  -179.53228
   47    43 S   C4T  _C6_    63     1.55780   124.24762   126.01624
   48    47 S   HC   _H4_    64     1.09848   112.84781     8.50812
   49    43 S   N4   _N4_    67     1.47162   101.63117    31.76680
   50    45 S   CA   _C16    42     1.40302   121.41811    -0.09065
   51    47 S   C4   _C11    65     1.55025    85.44821  -103.32789
   52    51 S   O    _O33    66     1.20995   135.81265   176.07195
   53    33 S   CT1  _C10    68     1.57170   106.94106   167.64337
   54    53 S   HC   _H6_    69     1.09722   112.08628    29.73187
   55    47 S   CT   _C5_    73     1.52196   116.09548   140.13512
   56    55 S   HC   _H3_    74     1.09592   111.05373    50.37165
   57    50 S   CA   _C17    43     1.40197   117.41359    -0.09279
   58    57 S   HA   _H14    44     1.08806   120.56913   179.42768
   59    50 S   CA   _C19    47     1.47496   121.32936   179.67615
   60    53 S   CO3  _C12    70     1.55002   114.98882   154.02097
   61    60 S   O2Z  _O35    71     1.26319   116.28139    50.13162
   62    60 S   O2Z  _O34    72     1.26521   114.37946  -130.03646
   63    55 S   CT   _C4_    75     1.52172   110.83522   173.02655
   64    63 S   HC   _H7_    76     1.09582   110.97416    59.11833
   65    63 S   HC   _H8_    77     1.09388   111.61007   -61.74842
   66    63 S   HC   _H9_    78     1.09524   110.53940   177.39143
   67    55 S   OH   _O36    79     1.42564   107.97656   -67.77922
   68    67 S   HO   _H21    80     0.97254   107.53912   179.92598
   69    37 S   CA   _C18    45     1.40544   120.30104   -68.31687
   70    69 S   HA   _H15    46     1.08816   120.46069    -0.64982
   71    59 S   CA   _C20    48     1.40652   121.14252   -46.46112
   72    71 S   HA   _H16    49     1.08798   120.50249    -0.66969
   73    71 S   CA   _C21    50     1.39764   121.16422  -179.67555
   74    73 S   HA   _H17    51     1.08619   119.88655   179.57204
   75    73 S   CA   _C22    52     1.39169   120.11017    -0.01978
   76    75 S   HA   _H18    53     1.08586   120.11955   179.77186
   77    75 S   CA   _C23    54     1.39165   119.76199     0.00000
   78    77 S   HA   _H19    55     1.08618   120.02913   179.87180
   79    59 S   CA   _C24    56     1.40640   121.17465   133.84295
   80    79 S   HA   _H20    57     1.08816   120.48699    -0.59610
  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  12   5   4   3
  20   2   1   1  17  14   6   5   9   4  13   6   8   3  13   7
   8  11   8   2   5   3   7   6   6   3  10   2   1   1   5   3
   2   1   1   1   1   1   8   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    69    38    39    40    43    49    53    54    60  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    45    57    69    70    38    39    40    43    44    47    51    49    53    54    60    61    62  
   35    36  
   36  
    0  
   41    42    45    46    50    57    58    69    70    38    39    40    43    49    53    54    60  
   39    40    43    44    47    48    51    49    53    54    60    55    41    69  
   40    43    44    47    49    53  
   43    44    47    49    53  
   42    45    46    50    57    69    70    59    53  
   45    46    50    69  
   44    47    48    51    52    49    53    54    60    55    56    63    67  
   47    48    51    49    53    55  
   46    50    57    58    69    59    71    79  
   50    57    59  
   48    51    52    49    53    55    56    63    64    65    66    67    68  
   51    52    49    55    56    63    67  
   53    54    60    61    62    55    51    52  
   57    58    69    70    59    71    72    73    77    79    80  
   52    53    54    60    55    56    63    67  
   53    55  
   54    60    61    62    69  
   60    61    62  
   56    63    64    65    66    67    68  
   63    64    65    66    67    68  
   58    69    70    59    71    79  
   69    70    59  
   71    72    73    74    75    77    78    79    80    69  
   61    62  
   62  
    0  
   64    65    66    67    68  
   65    66    67  
   66    67  
   67  
   68  
    0  
   70  
    0  
   72    73    74    75    76    77    79    80  
   73    74    75    79  
   74    75    76    77    78    79  
   75    76    77  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.282500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   50   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   53   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    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   317.000  1.510
   33    38   268.000  1.529
   33    53   268.000  1.529
   37    41   469.000  1.400
   37    69   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    57   469.000  1.400
   50    59   375.000  1.464
   57    58   367.000  1.080
   57    69   469.000  1.400
   69    70   367.000  1.080
   59    71   469.000  1.400
   59    79   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   260.000  1.519
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   305.000  1.456
   47    48   340.000  1.090
   47    51   250.000  1.540
   47    55   260.000  1.519
   51    52   930.000  1.212
   51    49   440.000  1.369
   49    53   337.000  1.449
   53    54   340.000  1.090
   53    60   317.000  1.522
   60    61   656.000  1.250
   60    62   656.000  1.250
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    67   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   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    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    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    53    75.00000  108.68000
   33    37    41    70.00000  120.00000
   33    37    69    70.00000  120.00000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  112.98000
   33    53    49    80.00000  109.70000
   33    53    54    37.50000  110.70000
   33    53    60    63.00000  111.10000
   37    41    42    35.00000  120.00000
   37    41    45    63.00000  120.00000
   37    69    57    63.00000  120.00000
   37    69    70    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    50    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    50    57    63.00000  120.00000
   45    50    59    60.00000  122.76000
   50    45    46    35.00000  120.00000
   50    57    58    35.00000  120.00000
   50    57    69    63.00000  120.00000
   50    59    71    60.00000  122.76000
   50    59    79    60.00000  122.76000
   57    69    70    35.00000  120.00000
   69    37    41    63.00000  120.00000
   69    57    58    35.00000  120.00000
   59    50    57    60.00000  122.76000
   59    71    72    35.00000  120.00000
   59    71    73    63.00000  120.00000
   59    79    77    63.00000  120.00000
   59    79    80    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    79    80    35.00000  120.00000
   79    59    71    63.00000  120.00000
   79    77    78    35.00000  120.00000
   38    33    37    70.00000  112.17500
   38    43    44    45.00000  112.72800
   38    43    47    65.00000  119.52000
   38    43    49    80.00000  110.05700
   40    38    39    33.00000  107.80000
   43    38    39    45.00000  111.22300
   43    38    40    45.00000  111.22300
   43    47    48    37.50000  110.70000
   43    47    51   100.00000   86.36000
   43    47    55    65.00000  119.52000
   43    49    51   100.00000   93.00000
   43    49    53    50.00000  132.70000
   47    43    44    37.50000  110.70000
   47    51    52    60.00000  136.58000
   47    51    49    95.00000   92.72400
   47    55    56    45.00000  111.22300
   47    55    63    70.00000  112.98000
   47    55    67    50.00000  109.50000
   51    47    48    40.00000  113.37500
   51    49    53    50.00000  132.10000
   49    43    44    50.00000  112.01000
   49    43    47   105.00000   87.49700
   49    51    52    75.00000  131.60000
   49    53    54    35.00000  109.50000
   49    53    60    63.00000  110.10000
   53    33    37    63.00000  114.00000
   53    33    38    58.35000  112.70000
   53    60    61    70.00000  117.00000
   53    60    62    70.00000  117.00000
   60    53    54    35.00000  109.50000
   62    60    61    80.00000  126.00000
   55    47    48    45.00000  112.72800
   55    47    51    63.00000  111.10000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    37.50000  110.70000
   55    67    68    55.00000  108.50000
   63    55    56    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    55    56    35.00000  109.50000
   67    55    63    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    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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    37    41  -0.16000  1.0 1.0
   29    33    37    41  -0.03200 -1.0 2.0
   29    33    37    41   0.04500  1.0 3.0
   29    33    37    69  -0.16000  1.0 1.0
   29    33    37    69  -0.03200 -1.0 2.0
   29    33    37    69   0.04500  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    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    53    49   0.71400  1.0 1.0
   29    33    53    49   0.04300 -1.0 2.0
   29    33    53    49   0.01450  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    60  -2.17200  1.0 1.0
   29    33    53    60  -0.85700 -1.0 2.0
   33    37    41    42   3.62500 -1.0 2.0
   33    37    41    45   3.62500 -1.0 2.0
   33    37    69    57   3.62500 -1.0 2.0
   33    37    69    70   3.62500 -1.0 2.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    47   0.04050  1.0 1.0
   33    38    43    47   0.63700 -1.0 2.0
   33    38    43    47   0.17650  1.0 3.0
   33    38   -43    49   0.43900  1.0 1.0
   33    38   -43    49   0.49100 -1.0 2.0
   33    38   -43    49   0.28400  1.0 3.0
   33    53    60    61   0.00000  1.0 1.0
   33    53    60    62   0.00000  1.0 1.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    40   0.43200  1.0 3.0
   37    33    38    43  -0.03700  1.0 1.0
   37    33    38    43   0.37200 -1.0 2.0
   37    33    38    43  -0.47300  1.0 3.0
   37    33    53    49   0.42250  1.0 1.0
   37    33    53    49  -0.48100 -1.0 2.0
   37    33    53    49   0.35650  1.0 3.0
   37    33    53    54   0.23100  1.0 3.0
   37    33    53    60  -0.84850  1.0 1.0
   37    33    53    60  -0.22800 -1.0 2.0
   37    33    53    60   0.29250  1.0 3.0
   37    41    45    46   3.62500 -1.0 2.0
   37    41    45    50   3.62500 -1.0 2.0
   41    37    69    57   3.62500 -1.0 2.0
   41    37    69    70   3.62500 -1.0 2.0
   41    45   -50    57   3.62500 -1.0 2.0
   41    45    50    59   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    50   3.62500 -1.0 2.0
   45    50    57    58   3.62500 -1.0 2.0
   45    50    57    69   3.62500 -1.0 2.0
   45    50    59    71  -0.19450  1.0 1.0
   45    50    59    71   0.63300 -1.0 2.0
   45    50    59    71   0.07450  1.0 3.0
   45    50    59    79  -0.19450  1.0 1.0
   45    50    59    79   0.63300 -1.0 2.0
   45    50    59    79   0.07450  1.0 3.0
   46    45    50    57   3.62500 -1.0 2.0
   46    45    50    59   3.62500 -1.0 2.0
   50    57   -69    37   3.62500 -1.0 2.0
   50    57    69    70   3.62500 -1.0 2.0
   50    59    71    72   3.62500 -1.0 2.0
   50    59    71    73   3.62500 -1.0 2.0
   50    59    79    77   3.62500 -1.0 2.0
   50    59    79    80   3.62500 -1.0 2.0
   57    50    59    71  -0.19450  1.0 1.0
   57    50    59    71   0.63300 -1.0 2.0
   57    50    59    71   0.07450  1.0 3.0
   57    50    59    79  -0.19450  1.0 1.0
   57    50    59    79   0.63300 -1.0 2.0
   57    50    59    79   0.07450  1.0 3.0
   58    57    69    37   3.62500 -1.0 2.0
   58    57    69    70   3.62500 -1.0 2.0
   69    37    41    42   3.62500 -1.0 2.0
   69    37   -41    45   3.62500 -1.0 2.0
   59    50    57    58   3.62500 -1.0 2.0
   59    50    57    69   3.62500 -1.0 2.0
   59    71    73    74   3.62500 -1.0 2.0
   59    71    73    75   3.62500 -1.0 2.0
   71    59    79    77   3.62500 -1.0 2.0
   71    59    79    80   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73   -75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75    77    79   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77   -79    59   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    59   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    59    71    72   3.62500 -1.0 2.0
   79    59   -71    73   3.62500 -1.0 2.0
   38    33    37    41   0.04150 -1.0 2.0
   38    33    37    69   0.04150 -1.0 2.0
   38    33   -53    49   0.42250  1.0 1.0
   38    33   -53    49  -0.48100 -1.0 2.0
   38    33   -53    49   0.35650  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    60  -0.84850  1.0 1.0
   38    33    53    60  -0.22800 -1.0 2.0
   38    33    53    60   0.29250  1.0 3.0
   38    43    47    48   0.15000  1.0 3.0
   38    43    47    51  -0.95700  1.0 1.0
   38    43    47    51  -0.18200 -1.0 2.0
   38    43    47    51   0.29450  1.0 3.0
   38    43    47    55   0.56750  1.0 1.0
   38    43    47    55  -0.07550 -1.0 2.0
   38    43    47    55   0.20000  1.0 3.0
   38    43   -49    51   0.00000  1.0 1.0
   38    43   -49    53   0.00000  1.0 1.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    47   0.00000  1.0 1.0
   39    38    43    49   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    47   0.00000  1.0 1.0
   40    38    43    49   0.15000  1.0 3.0
   43    47    51    52  -0.11250  1.0 1.0
   43    47    51    52   0.11400 -1.0 2.0
   43    47    51    52  -0.28950  1.0 3.0
   43    47   -51    49   3.00000 -1.0 2.0
   43    47    55    56   0.00000  1.0 1.0
   43    47    55    63   0.04050  1.0 1.0
   43    47    55    63   0.63700 -1.0 2.0
   43    47    55    63   0.17650  1.0 3.0
   43    47    55    67   0.86500  1.0 1.0
   43    47    55    67  -0.17500 -1.0 2.0
   43    47    55    67   0.20800  1.0 3.0
   43    49   -53    33   0.00000  1.0 1.0
   43    49    53    54   0.00000  1.0 1.0
   43    49    53    60   0.00000  1.0 1.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    55   0.15000  1.0 3.0
   44    43   -49    51   0.00000  1.0 1.0
   44    43    49    53   0.00000  1.0 1.0
   47    43   -49    51   0.00000  1.0 1.0
   47    43    49    53   0.00000  1.0 1.0
   47    51   -49    43   3.00000 -1.0 2.0
   47    51   -49    53   3.00000 -1.0 2.0
   47    55    63    64   0.15000  1.0 3.0
   47    55    63    65   0.15000  1.0 3.0
   47    55    63    66   0.15000  1.0 3.0
   47    55    67    68  -0.11600  1.0 1.0
   47    55    67    68  -0.09450 -1.0 2.0
   47    55    67    68   0.21250  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    49   0.00000  1.0 1.0
   48    47    55    56   0.15000  1.0 3.0
   48    47    55    63   0.15000  1.0 3.0
   48    47    55    67   0.23400  1.0 3.0
   51    47    55    56  -0.11250  1.0 3.0
   51    47    55    63  -0.95700  1.0 1.0
   51    47    55    63  -0.18200 -1.0 2.0
   51    47    55    63   0.29450  1.0 3.0
   51    47    55    67  -0.09450  1.0 1.0
   51    47    55    67  -1.12950 -1.0 2.0
   51    47    55    67   0.54000  1.0 3.0
   51    49    53    33   0.00000  1.0 1.0
   51    49    53    54   0.00000  1.0 1.0
   51    49    53    60   0.00000  1.0 1.0
   52    51   -49    43   3.00000 -1.0 2.0
   52    51    49    53   3.00000 -1.0 2.0
   49    43   -47    48   0.15000  1.0 3.0
   49    43   -47    51   3.00000 -1.0 2.0
   49    43    47    55   0.43900  1.0 1.0
   49    43    47    55   0.49100 -1.0 2.0
   49    43    47    55   0.28400  1.0 3.0
   49    53    60    61   0.00000  1.0 1.0
   49    53    60    62   0.00000  1.0 1.0
   53    33    37    41   0.00000  1.0 1.0
   53    33    37    69   0.00000  1.0 1.0
   53    33    38    39   0.15000  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33   -38    43   0.31550 -1.0 2.0
   53    33   -38    43   0.11250  1.0 3.0
   54    53    60    61   0.00000  1.0 1.0
   54    53    60    62   0.00000  1.0 1.0
   55    47    51    52   0.30150 -1.0 2.0
   55    47   -51    49   1.39750  1.0 1.0
   55    47   -51    49  -0.07950 -1.0 2.0
   55    47   -51    49  -0.18750  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    66   0.15000  1.0 3.0
   56    55    67    68   0.19450  1.0 3.0
   63    55    67    68  -0.11600  1.0 1.0
   63    55    67    68  -0.09450 -1.0 2.0
   63    55    67    68   0.21250  1.0 3.0
   67    55    63    64   0.23400  1.0 3.0
   67    55    63    65   0.23400  1.0 3.0
   67    55    63    66   0.23400  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
   41    69    37    33   4.00000 -1.0 2.0
   45    42    41    37   1.10000 -1.0 2.0
   50    46    45    41   1.10000 -1.0 2.0
   57    59    50    45   4.00000 -1.0 2.0
   69    58    57    50   1.10000 -1.0 2.0
   57    70    69    37   1.10000 -1.0 2.0
   71    79    59    50   4.00000 -1.0 2.0
   73    72    71    59   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    59   1.10000 -1.0 2.0
   47    49    51    52  10.50000 -1.0 2.0
   53    51    49    43   1.00000 -1.0 2.0
   61    53    60    62  10.50000 -1.0 2.0
END
