* LIGAND DATABASE FILE (OPLS2005)
*
001      79    84    148    256     444
    1     0 S   NP   _N1_     1    28.92127    93.48755   -19.59975
    2     1 S   H    _HN1     2     1.02773    83.79505   -64.32887
    3     1 S   H    _H1_     3     1.02960   103.74477    43.12471
    4     1 S   H    _H2_     4     1.02832    27.37400   143.55842
    5     1 S   CT   _CA1     5     1.50210   134.08114  -179.57022
    6     5 S   HC   _HA1     6     1.09558   105.19903    42.23487
    7     5 S   CO3  _C1_     7     1.53932   112.42569   -77.94049
    8     7 S   O2Z  _O11     8     1.26392   115.00126   -35.90806
    9     7 S   O2Z  _O12     9     1.26250   115.03791   143.07273
   10     5 S   CT   _CB1    10     1.53077   107.35250   160.39222
   11    10 S   HC   HB11    11     1.09816   109.58388   -46.17671
   12    10 S   HC   HB12    12     1.09849   110.21163    70.40001
   13    10 S   CT   _CG1    13     1.53076   112.82603  -167.26908
   14    13 S   HC   HG11    14     1.09468   110.35043   -57.76921
   15    13 S   HC   HG12    15     1.09600   110.32636    61.31809
   16    13 S   C    _CD1    16     1.51812   111.63277  -178.85688
   17    16 S   O    _OE1    17     1.22783   122.86379   -23.46531
   18    16 S   N    _N2_    18     1.38585   112.09663   157.45480
   19    18 S   H    _HN2    19     1.01561   119.11715     2.13973
   20    18 S   CT1  _CA2    20     1.46309   123.28924  -175.33263
   21    20 S   HC   _HA2    21     1.09731   109.32202   -18.22373
   22    20 S   C    _C2_    22     1.53331   108.30671  -134.12632
   23    22 S   O    _O2_    23     1.23002   122.29966  -145.16248
   24    20 S   CT   _CB2    32     1.53640   111.20654   103.78647
   25    24 S   HC   HB21    33     1.09371   109.38488    56.38689
   26    24 S   HC   HB22    34     1.09508   110.65371   174.81103
   27    22 S   N    _N3_    24     1.38527   113.26964    42.14332
   28    27 S   H    _HN3    25     1.01541   118.89780    -0.44191
   29    24 S   S    _SG2    35     1.82679   111.45661   -65.77145
   30    27 S   CT   _CA3    26     1.45444   123.38420   175.16106
   31    30 S   HC   HA31    27     1.09529   109.14463    25.94976
   32    30 S   HC   HA32    28     1.09493   107.13929   142.93923
   33    29 S   CT   _C26    36     1.84884   100.62548   159.11017
   34    33 S   HC   _H5_    37     1.09748   105.99839    48.49062
   35    30 S   CO3  _C3_    29     1.52933   113.20136   -97.46505
   36    35 S   O2Z  _O31    30     1.26395   115.44813   -43.57922
   37    35 S   O2Z  _O32    31     1.26362   114.95402   137.37092
   38    33 S   CT   _C27    38     1.55165   111.27936   164.62313
   39    38 S   HC   _H6_    39     1.09525   106.84478  -167.67011
   40    38 S   CA   _C18    40     1.53460   115.26964    73.36185
   41    38 S   OH   _O33    78     1.42971   107.99254   -51.70720
   42    41 S   HO   _H17    79     0.97191   107.81254   -53.76099
   43    40 S   CA   _C17    41     1.46311   122.66931  -158.78705
   44    40 S   CA   _C19    67     1.41667   116.52368    18.00595
   45    43 S   CA   _C7_    42     1.45791   127.80275   -18.55661
   46    44 S   CT   _C24    68     1.51856   124.15913    11.33400
   47    46 S   HC   _H3_    69     1.09792   107.13545   117.94023
   48    43 S   CR3  _C16    76     1.42311   116.08977   161.27946
   49    45 S   CA   _C6_    43     1.42137   123.18922   -17.16482
   50    49 S   HA   _H9_    44     1.08299   120.90889    -6.26147
   51    33 S   CT   _C25    70     1.53081   113.47750   -72.20278
   52    51 S   HC   _H4_    71     1.09469   110.66867    57.94676
   53    46 S   OH   _O35    74     1.42989   108.58061  -126.55071
   54    53 S   HO   _H19    75     0.97233   107.57715  -164.45788
   55    65 S   CR3  _C15    77     1.41279   119.10782     3.08908
   56    49 S   CA   _C5_    45     1.39516   124.19682   176.25744
   57    56 S   HA   _H8_    46     1.08560   120.19939  -178.90193
   58    51 S   OH   _O34    72     1.43323   108.10929   173.35444
   59    58 S   HO   _H18    73     0.97283   107.68989  -175.71371
   60    56 S   CA   _C4_    47     1.37417   119.22944     1.58115
   61    60 S   HA   _H7_    48     1.08530   120.68163  -179.64723
   62    60 S   CA   _C9_    49     1.39063   118.83950     2.82189
   63    62 S   HA   _H10    50     1.08645   115.38645   176.76408
   64    45 S   CA   _C8_    51     1.42608   121.04274   166.26037
   65    64 S   CA   _C10    52     1.42676   119.89986     6.78495
   66    65 S   CA   _C11    53     1.42138   123.66960  -179.62413
   67    66 S   HA   _H11    54     1.08629   121.56437     3.64910
   68    66 S   CA   _C12    55     1.39233   122.74276  -175.76654
   69    68 S   HA   _H12    56     1.08598   120.13598   179.63363
   70    68 S   CA   _C13    57     1.38168   119.56251     0.40056
   71    70 S   HA   _H13    58     1.08773   118.85499   179.15767
   72    70 S   CA   _C14    59     1.39569   120.00984    -1.18993
   73    72 S   CA   _C23    60     1.39205   118.65903   179.93439
   74    73 S   HA   _H16    61     1.08781   121.15978    -0.76668
   75    73 S   CA   _C22    62     1.38470   120.10652   179.09194
   76    75 S   HA   _H15    63     1.08875   118.51762  -179.81443
   77    75 S   CA   _C21    64     1.39638   120.54237    -1.21820
   78    77 S   CA   _C20    65     1.38641   118.02821  -178.14080
   79    78 S   HA   _H14    66     1.08991   119.84109    -3.31907
  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  13   6  16   4   1  15  13  13  10   6  13
   8   4   6   3   3   1  14   6   3   1   1   5   3   4   2   5
   8   6   3   5   3   5   2   5   5   3   4   2   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    51    52    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    46    47    51    52    58    59    53    41    42  
   38    39    40    46    51    52    58    41  
   36    37  
   37  
    0  
   39    40    43    45    78    44    46    51    52    58    48    41    42  
   40    43    44    51    41    42  
   43    45    49    64    77    78    79    44    46    47    51    53    48    55    41    42  
   42    43    44    51  
    0  
   45    49    50    56    62    64    65    72    75    77    78    44    46    48    55  
   46    47    51    52    58    53    54    48    45    75    77    78    79  
   49    50    56    57    60    62    63    64    65    66    77    48    55  
   47    51    52    58    59    53    54    77    78    79  
   51    52    58    53    54    78  
   55    49    64    65    66    70    72    73    75    76    77    78    79  
   50    56    57    60    61    62    64    65  
   56    57    60    64  
   52    58    59    53    54    78  
   58    59    53  
   54    58    78  
    0  
   62    64    65    66    67    68    70    71    72    73    74    75    77    78  
   57    60    61    62    63    64  
   60    61    62  
   59  
    0  
   61    62    63    64    65  
   62    63    64  
   63    64    65    66  
   64    65  
   65    66    67    68    72  
   66    67    68    69    70    72    73    77  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72    73  
   70    71    72  
   71    72    73    74    75  
   72    73  
   73    74    75    76    77  
   74    75    76    77    78  
   75    76    77  
   76    77    78    79  
   77    78  
   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   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700   0.000000   2.5000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   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    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    51   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    43   469.000  1.400
   40    44   469.000  1.400
   43    45   375.000  1.464
   43    48   490.000  1.398
   45    49   469.000  1.400
   45    64   469.000  1.400
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   375.000  1.464
   65    66   469.000  1.400
   65    55   490.000  1.398
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    55   490.000  1.398
   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   469.000  1.400
   77    48   490.000  1.398
   78    79   367.000  1.080
   78    44   469.000  1.400
   44    46   317.000  1.510
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    53   320.000  1.410
   51    52   340.000  1.090
   51    58   320.000  1.410
   58    59   553.000  0.945
   53    54   553.000  0.945
   48    55   490.000  1.398
   41    42   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    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.17500
   33    38    41    50.00000  109.50000
   33    51    46    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    70.00000  120.00000
   38    40    44    70.00000  120.00000
   38    41    42    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    43    45    60.00000  122.76000
   40    43    48    70.00000  112.88000
   40    44    78    63.00000  120.00000
   40    44    46    70.00000  120.00000
   43    45    49    60.00000  122.76000
   43    45    64    60.00000  122.76000
   43    48    77    60.00000  130.80000
   43    48    55    60.00000  130.80000
   45    49    50    35.00000  120.00000
   45    49    56    63.00000  120.00000
   45    64    62    63.00000  120.00000
   45    64    65    60.00000  122.76000
   49    56    57    35.00000  120.00000
   49    56    60    63.00000  120.00000
   56    49    50    35.00000  120.00000
   56    60    61    35.00000  120.00000
   56    60    62    63.00000  120.00000
   60    56    57    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    60.00000  122.76000
   64    45    49    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    65    66    60.00000  122.76000
   64    65    55    60.00000  122.76000
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    55    72    60.00000  130.80000
   65    55    48    60.00000  130.80000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    55    70.00000  112.88000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    55    48    60.00000  130.80000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    63.00000  120.00000
   75    77    48    70.00000  112.88000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  120.00000
   77    78    44    63.00000  120.00000
   77    48    55    60.00000  130.80000
   78    44    46    70.00000  120.00000
   44    40    43    63.00000  120.00000
   44    78    79    35.00000  120.00000
   44    46    47    35.00000  109.50000
   44    46    51    70.00000  112.17500
   44    46    53    90.00000  112.51600
   46    51    52    37.50000  110.70000
   46    51    58    50.00000  109.50000
   46    53    54    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    58    59    55.00000  108.50000
   58    51    52    35.00000  109.50000
   53    46    47    35.00000  109.50000
   53    46    51    50.00000  109.50000
   48    43    45    60.00000  122.76000
   48    77    78    70.00000  112.88000
   55    65    66    70.00000  112.88000
   55    72    73    70.00000  112.88000
   41    38    39    35.00000  109.50000
   41    38    40    90.00000  112.51600
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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    51    46   0.44750  1.0 1.0
   29    33    51    46  -0.17800 -1.0 2.0
   29    33    51    46   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    58   0.56750  1.0 1.0
   29    33    51    58  -0.07550 -1.0 2.0
   29    33    51    58   0.20000  1.0 3.0
   33    38    40    43   0.04150 -1.0 2.0
   33    38    40    44   0.04150 -1.0 2.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    51    58    59  -0.11600  1.0 1.0
   33    51    58    59  -0.09450 -1.0 2.0
   33    51    58    59   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.43200  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    51    46   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    58   0.23400  1.0 3.0
   38    33    51    46   0.56750  1.0 1.0
   38    33    51    46  -0.07550 -1.0 2.0
   38    33    51    46   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    58   0.86500  1.0 1.0
   38    33    51    58  -0.17500 -1.0 2.0
   38    33    51    58   0.20800  1.0 3.0
   38    40    43    45   3.62500 -1.0 2.0
   38    40    43    48   3.62500 -1.0 2.0
   38    40    44    78   3.62500 -1.0 2.0
   38    40   -44    46   3.62500 -1.0 2.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42   0.31900  1.0 1.0
   40    38    41    42  -0.11800 -1.0 2.0
   40    38    41    42   0.38750  1.0 3.0
   40    43    45    49  -0.19450  1.0 1.0
   40    43    45    49   0.63300 -1.0 2.0
   40    43    45    49   0.07450  1.0 3.0
   40    43    45    64  -0.19450  1.0 1.0
   40    43    45    64   0.63300 -1.0 2.0
   40    43    45    64   0.07450  1.0 3.0
   40    43    48    77   3.62500 -1.0 2.0
   40    43    48    55   3.62500 -1.0 2.0
   40    44    46    47   0.00000  1.0 1.0
   40    44    46    51   0.04150 -1.0 2.0
   40    44    46    53   0.14300 -1.0 2.0
   40    44    46    53   0.00300  1.0 3.0
   43    40    44    78   3.62500 -1.0 2.0
   43    40    44    46   3.62500 -1.0 2.0
   43    45    49    50   3.62500 -1.0 2.0
   43    45    49    56   3.62500 -1.0 2.0
   43    45    64    62   3.62500 -1.0 2.0
   43    45    64    65   3.62500 -1.0 2.0
   43    48   -55    65   3.62500 -1.0 2.0
   43    48    55    72   3.62500 -1.0 2.0
   45    43    48    77   3.62500 -1.0 2.0
   45    43    48    55   3.62500 -1.0 2.0
   45    49    56    57   3.62500 -1.0 2.0
   45    49    56    60   3.62500 -1.0 2.0
   45    64    65    66  -0.19450  1.0 1.0
   45    64    65    66   0.63300 -1.0 2.0
   45    64    65    66   0.07450  1.0 3.0
   45    64   -65    55  -0.19450  1.0 1.0
   45    64   -65    55   0.63300 -1.0 2.0
   45    64   -65    55   0.07450  1.0 3.0
   49    45    64    62   3.62500 -1.0 2.0
   49    45    64    65   3.62500 -1.0 2.0
   49    56    60    61   3.62500 -1.0 2.0
   49    56   -60    62   3.62500 -1.0 2.0
   50    49    56    57   3.62500 -1.0 2.0
   50    49    56    60   3.62500 -1.0 2.0
   56    60    62    63   3.62500 -1.0 2.0
   56    60    62    64   3.62500 -1.0 2.0
   57    56    60    61   3.62500 -1.0 2.0
   57    56    60    62   3.62500 -1.0 2.0
   60    62   -64    45   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64    65    66  -0.19450  1.0 1.0
   62    64    65    66   0.63300 -1.0 2.0
   62    64    65    66   0.07450  1.0 3.0
   62    64    65    55  -0.19450  1.0 1.0
   62    64    65    55   0.63300 -1.0 2.0
   62    64    65    55   0.07450  1.0 3.0
   63    62    64    45   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    45    49    50   3.62500 -1.0 2.0
   64    45   -49    56   3.62500 -1.0 2.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    68   3.62500 -1.0 2.0
   64    65    55    72   3.62500 -1.0 2.0
   64    65    55    48   3.62500 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    70   3.62500 -1.0 2.0
   66    65    55    72   3.62500 -1.0 2.0
   66    65    55    48   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    72   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    55   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72    73    75   3.62500 -1.0 2.0
   70    72   -55    65   3.62500 -1.0 2.0
   70    72    55    48   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    55   3.62500 -1.0 2.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    75    77   3.62500 -1.0 2.0
   73    72    55    65   3.62500 -1.0 2.0
   73    72    55    48   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75   -77    48   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    78    79   3.62500 -1.0 2.0
   75    77    78    44   3.62500 -1.0 2.0
   75    77    48    43   3.62500 -1.0 2.0
   75    77    48    55   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    48   3.62500 -1.0 2.0
   77    78   -44    40   3.62500 -1.0 2.0
   77    78    44    46   3.62500 -1.0 2.0
   77    48    55    65   3.62500 -1.0 2.0
   77    48   -55    72   3.62500 -1.0 2.0
   78    77   -48    43   3.62500 -1.0 2.0
   78    77    48    55   3.62500 -1.0 2.0
   78    44    46    47   0.00000  1.0 1.0
   78    44    46    51   0.04150 -1.0 2.0
   78    44    46    53   0.14300 -1.0 2.0
   78    44    46    53   0.00300  1.0 3.0
   79    78    44    40   3.62500 -1.0 2.0
   79    78    44    46   3.62500 -1.0 2.0
   44    40    43    45   3.62500 -1.0 2.0
   44    40    43    48   3.62500 -1.0 2.0
   44    46   -51    33  -0.03700  1.0 1.0
   44    46   -51    33   0.37200 -1.0 2.0
   44    46   -51    33  -0.47300  1.0 3.0
   44    46    51    52   0.43200  1.0 3.0
   44    46    51    58   1.13150  1.0 1.0
   44    46    51    58  -1.01400 -1.0 2.0
   44    46    53    54   0.31900  1.0 1.0
   44    46    53    54  -0.11800 -1.0 2.0
   44    46    53    54   0.38750  1.0 3.0
   46    51    58    59  -0.11600  1.0 1.0
   46    51    58    59  -0.09450 -1.0 2.0
   46    51    58    59   0.21250  1.0 3.0
   47    46    51    33   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    58   0.23400  1.0 3.0
   47    46    53    54   0.19450  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40  -0.03700  1.0 1.0
   51    33   -38    40   0.37200 -1.0 2.0
   51    33   -38    40  -0.47300  1.0 3.0
   51    33    38    41   0.86500  1.0 1.0
   51    33    38    41  -0.17500 -1.0 2.0
   51    33    38    41   0.20800  1.0 3.0
   51    46    53    54  -0.11600  1.0 1.0
   51    46    53    54  -0.09450 -1.0 2.0
   51    46    53    54   0.21250  1.0 3.0
   52    51    58    59   0.19450  1.0 3.0
   53    46    51    33   0.86500  1.0 1.0
   53    46    51    33  -0.17500 -1.0 2.0
   53    46    51    33   0.20800  1.0 3.0
   53    46    51    52   0.23400  1.0 3.0
   53    46    51    58   3.75450  1.0 1.0
   48    43    45    49  -0.19450  1.0 1.0
   48    43    45    49   0.63300 -1.0 2.0
   48    43    45    49   0.07450  1.0 3.0
   48    43   -45    64  -0.19450  1.0 1.0
   48    43   -45    64   0.63300 -1.0 2.0
   48    43   -45    64   0.07450  1.0 3.0
   48    77    78    79   3.62500 -1.0 2.0
   48    77   -78    44   3.62500 -1.0 2.0
   55    65    66    67   3.62500 -1.0 2.0
   55    65   -66    68   3.62500 -1.0 2.0
   55    72    73    74   3.62500 -1.0 2.0
   55    72   -73    75   3.62500 -1.0 2.0
   41    38    40    43   0.14300 -1.0 2.0
   41    38    40    43   0.00300  1.0 3.0
   41    38    40    44   0.14300 -1.0 2.0
   41    38    40    44   0.00300  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
   43    44    40    38   4.00000 -1.0 2.0
   45    48    43    40   4.00000 -1.0 2.0
   49    64    45    43   4.00000 -1.0 2.0
   56    50    49    45   1.10000 -1.0 2.0
   60    57    56    49   1.10000 -1.0 2.0
   62    61    60    56   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   62    65    64    45   4.00000 -1.0 2.0
   66    55    65    64   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   73    55    72    70   4.00000 -1.0 2.0
   75    74    73    72   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   78    48    77    75   4.00000 -1.0 2.0
   44    79    78    77   1.10000 -1.0 2.0
   78    46    44    40   4.00000 -1.0 2.0
   77    55    48    43   4.00000 -1.0 2.0
   72    48    55    65   4.00000 -1.0 2.0
END
