* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    146    244     441
    1     0 S   NP   _N1_     1    27.97156    97.37110   -22.83730
    2     1 S   H    _HN1     2     1.02777   105.28667  -101.37155
    3     1 S   H    _H1_     3     1.02957    70.10814     2.97493
    4     1 S   H    _H2_     4     1.02836    40.16119   158.85579
    5     1 S   CT   _CA1     5     1.50144   139.40169   101.45622
    6     5 S   HC   _HA1     6     1.09577   105.19497    94.74802
    7     5 S   CO3  _C1_     7     1.53775   112.29141   -25.39457
    8     7 S   O2Z  _O11     8     1.26367   114.99462   -45.12136
    9     7 S   O2Z  _O12     9     1.26230   114.92559   133.81901
   10     5 S   CT   _CB1    10     1.53082   107.40167  -147.39694
   11    10 S   HC   HB11    11     1.09830   109.29564   -50.46499
   12    10 S   HC   HB12    12     1.09814   110.45684    66.07636
   13    10 S   CT   _CG1    13     1.53031   112.68906  -171.51631
   14    13 S   HC   HG11    14     1.09592   110.51963   -65.13112
   15    13 S   HC   HG12    15     1.09659   109.89327    54.07958
   16    13 S   C    _CD1    16     1.51856   112.23599   174.41812
   17    16 S   O    _OE1    17     1.22769   123.25711     2.18086
   18    16 S   N    _N2_    18     1.38551   111.78887  -177.78884
   19    18 S   H    _HN2    19     1.01561   119.15213     3.65473
   20    18 S   CT1  _CA2    20     1.45796   122.81308   177.70885
   21    20 S   HC   _HA2    21     1.09758   108.83396    25.92302
   22    20 S   C    _C2_    22     1.53041   107.44125   -90.79793
   23    22 S   O    _O2_    23     1.22952   123.24139   -22.56500
   24    20 S   CT   _CB2    32     1.53292   112.28633   149.06495
   25    24 S   HC   HB21    33     1.09538   110.07854    53.18261
   26    24 S   HC   HB22    34     1.09277   109.42369   171.87660
   27    22 S   N    _N3_    24     1.38561   112.36773   159.92369
   28    27 S   H    _HN3    25     1.01660   120.23433    -2.55144
   29    24 S   S    _SG2    35     1.82986   110.79751   -68.11209
   30    27 S   CT   _CA3    26     1.45321   122.68167   178.12821
   31    30 S   HC   HA31    27     1.09565   108.03886   -50.65164
   32    30 S   HC   HA32    28     1.09550   107.45643    65.76557
   33    29 S   CT   _C23    36     1.87242   101.81322  -178.27785
   34    33 S   OM   _O39    37     1.32576   107.64848   -65.87195
   35    30 S   CO3  _C3_    29     1.52916   114.19569  -172.69765
   36    35 S   O2Z  _O31    30     1.26348   116.06721    -0.80794
   37    35 S   O2Z  _O32    31     1.26431   114.41365   179.15420
   38    33 S   CT   _C6_    38     1.55534   113.08675    54.91835
   39    38 S   HC   _H3_    39     1.10201   108.40676   -72.52336
   40    33 S   CT   _C22    68     1.56254   107.82425   176.76572
   41    40 S   HC   _H5_    69     1.09535   109.07625   -55.01539
   42    38 S   CO4  _C7_    40     1.53059   110.82634   172.25463
   43    42 S   O    _O34    41     1.23561   119.87876   129.14803
   44    40 S   OH   _O40    70     1.43787   111.05136    60.85367
   45    44 S   HO   _H16    71     0.97424   105.78427    39.09665
   46    38 S   CO4  _C5_    74     1.53637   115.89258    45.37159
   47    46 S   O    _O33    75     1.23042   123.41559    29.11072
   48    42 S   CT   _C8_    42     1.55118   118.20495   -53.34910
   49    46 S   CT   _C4_    76     1.50968   116.25136  -151.82049
   50    49 S   HC   _H6_    77     1.09272   109.57676    63.87877
   51    49 S   HC   _H7_    78     1.09224   110.00556   -57.36552
   52    49 S   HC   _H8_    79     1.09362   109.62542  -176.83585
   53    48 S   CMA  _C21    43     1.55860   114.00651   -80.41225
   54    53 S   OM   _O35    44     1.26722   110.76838   -41.30076
   55    48 S   OH   _O41    72     1.44376   105.10386   163.05293
   56    55 S   HO   _H17    73     0.97420   106.12173    69.79136
   57    53 S   CM   _C20    45     1.36389   118.91690   139.13326
   58    57 S   CM   _C11    46     1.46094   122.98955     4.65446
   59    57 S   CO4  _C19    57     1.51556   119.94564  -176.75279
   60    59 S   O    _O36    58     1.22591   123.89523   -17.17349
   61    58 S   CM   _C12    47     1.34148   121.88516  -168.12322
   62    61 S   HC   _H11    48     1.08592   120.69224   179.52317
   63    58 S   CT   _C10    63     1.50325   117.21988    11.96934
   64    63 S   HC   _H9_    64     1.09828   108.69792    76.21571
   65    63 S   HC   _H10    65     1.09674   111.48187  -167.46549
   66    61 S   CA   _C13    49     1.46177   121.50028    -0.63674
   67    48 S   CT   _C9_    66     1.54717   108.60634    49.87272
   68    67 S   HC   _H4_    67     1.10036   108.93191    73.04455
   69    66 S   CA   _C14    50     1.40278   119.31027   174.23520
   70    69 S   HA   _H12    51     1.08751   120.22311    -1.04136
   71    69 S   CA   _C15    52     1.39345   119.95027   178.95526
   72    71 S   CA   _C16    53     1.38963   120.77855    -0.21580
   73    72 S   HA   _H13    54     1.08666   120.24248  -180.00000
   74    71 S   OH   _O38    61     1.36640   121.05436   179.87489
   75    74 S   HO   _H15    62     0.97237   108.66494    -0.40974
   76    72 S   CA   _C17    55     1.39486   119.47106     0.01978
   77    66 S   CA   _C18    56     1.40380   120.90624    -7.05130
   78    76 S   OH   _O37    59     1.36941   115.93119   179.81129
   79    78 S   HO   _H14    60     0.97443   108.64935   178.70155
  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
  16   8   2   1   1  16   7  14   6  13   5   5   1   6   4  12
   3   2   1   1  12   5   5   1  12  12   9   3  11   4   5   3
   2   8   1   1   8   4   7   7   4   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    67    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    63    67    68    40    41    44    45    46    47    49  
   38    39    42    67    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    48    53    67    40    41    44    55    46    47    49    50    51    52  
   42    43    48    40    46    47    49  
   41    44    45    55    46    42    48    53    58    63    64    65    67    68  
   44    45    48    63    67    68  
   43    48    53    54    57    63    67    68    55    56    46    47    49  
   48    53    67    55    46  
   45    48    63    67    68  
   67  
   47    49    50    51    52    48  
   49    50    51    52  
   53    54    57    58    59    63    64    65    67    68    55    56  
   50    51    52  
   51    52  
   52  
    0  
   54    57    58    61    77    59    60    63    67    68    55    56  
   57    58    59    67    55  
   56    57    63    67    68  
   67  
   58    61    62    66    76    77    59    60    63    64    65    67  
   61    62    66    69    77    59    60    63    64    65    67    68  
   60    78    63    61    66    69    72    76    77  
   66    76    77  
   62    66    69    70    71    76    77    63    64    65    67  
   66    69    77    63  
   64    65    67    68    66  
   65    67    68  
   67    68  
   69    70    71    72    76    77    78    74  
   68  
    0  
   70    71    72    73    76    77    74    75  
   71    72    77    74  
   72    73    76    77    78    74    75  
   73    76    77    78    79    74    75  
   76    77    78    74  
   75    76  
    0  
   77    78    79  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   54   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   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    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   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    46   317.000  1.522
   42    43   570.000  1.229
   42    48   317.000  1.522
   48    53   270.000  1.512
   48    67   268.000  1.529
   48    55   320.000  1.410
   53    54   745.000  1.250
   53    57   465.000  1.376
   57    58   380.000  1.444
   57    59   320.000  1.462
   58    61   549.000  1.340
   58    63   317.000  1.510
   61    62   340.000  1.080
   61    66   320.000  1.460
   66    69   469.000  1.400
   66    77   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    77   469.000  1.400
   76    78   450.000  1.364
   77    59   310.000  1.470
   59    60   570.000  1.229
   78    79   553.000  0.945
   74    75   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    40   268.000  1.529
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    45   553.000  0.945
   55    56   553.000  0.945
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    46    63.00000  111.10000
   33    40    67    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    48    70.00000  116.00000
   38    46    47    80.00000  120.40000
   38    46    49    70.00000  116.00000
   42    38    39    35.00000  109.50000
   42    48    53    70.00000  109.06800
   42    48    67    63.00000  111.10000
   42    48    55    90.00000  109.61100
   48    42    43    80.00000  120.40000
   48    53    54    85.00000  112.85300
   48    53    57    65.00000  122.18000
   48    67    63    58.35000  112.70000
   48    67    68    37.50000  110.70000
   48    67    40    58.35000  112.70000
   48    55    56    55.00000  108.50000
   53    57    58    70.00000  117.34000
   53    57    59    60.00000  125.92000
   57    53    54    65.00000  137.10300
   57    58    61    70.00000  123.01800
   57    58    63    70.00000  124.00000
   57    59    77    65.00000  117.02400
   57    59    60    80.00000  123.72100
   58    61    62    35.00000  120.00000
   58    61    66    60.00000  123.20500
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    67    70.00000  112.02700
   61    66    69    60.00000  120.93500
   61    66    77    60.00000  120.93500
   66    61    62    40.00000  117.26300
   66    69    70    35.00000  120.00000
   66    69    71    63.00000  120.00000
   66    77    76    63.00000  120.00000
   66    77    59    60.00000  119.52600
   69    71    72    63.00000  120.00000
   69    71    74    70.00000  120.00000
   71    69    70    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    76    63.00000  120.00000
   71    74    75    35.00000  113.00000
   72    76    77    63.00000  120.00000
   72    76    78    70.00000  120.00000
   76    72    73    35.00000  120.00000
   76    77    59    60.00000  119.52600
   76    78    79    35.00000  113.00000
   77    66    69    63.00000  120.00000
   77    59    60    75.00000  123.78400
   59    57    58    65.00000  118.96000
   78    76    77    70.00000  120.00000
   74    71    72    70.00000  120.00000
   63    58    61    70.00000  124.00000
   63    67    68    37.50000  110.70000
   63    67    40    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    48    53    70.00000  112.02700
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    40    41    37.50000  110.70000
   67    40    44    50.00000  109.50000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    67    68    37.50000  110.70000
   40    44    45    55.00000  108.50000
   44    40    41    35.00000  109.50000
   55    48    53    90.00000  110.39200
   55    48    67    50.00000  109.50000
   46    38    39    35.00000  109.50000
   46    38    42    75.00000  107.99600
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   49    46    47    80.00000  120.40000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    67   0.44750  1.0 1.0
   29    33    40    67  -0.17800 -1.0 2.0
   29    33    40    67   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    48   0.60050  1.0 1.0
   33    38    42    48   0.05600 -1.0 2.0
   33    38    42    48   0.26150  1.0 3.0
   33    38    46    47   0.30150 -1.0 2.0
   33    38    46    49   0.60050  1.0 1.0
   33    38    46    49   0.05600 -1.0 2.0
   33    38    46    49   0.26150  1.0 3.0
   33    40    44    45  -0.11600  1.0 1.0
   33    40    44    45  -0.09450 -1.0 2.0
   33    40    44    45   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    46  -0.09450  1.0 1.0
   34    33    38    46  -1.12950 -1.0 2.0
   34    33    38    46   0.54000  1.0 3.0
   34    33    40    67   0.62750  1.0 1.0
   34    33    40    67  -0.30950 -1.0 2.0
   34    33    40    67   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   3.69350  1.0 1.0
   34    33    40    44  -1.82950 -1.0 2.0
   38    33    40    67   0.56750  1.0 1.0
   38    33    40    67  -0.07550 -1.0 2.0
   38    33    40    67   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.86500  1.0 1.0
   38    33    40    44  -0.17500 -1.0 2.0
   38    33    40    44   0.20800  1.0 3.0
   38    42    48    53   0.65300  1.0 1.0
   38    42    48    53  -0.03850 -1.0 2.0
   38    42    48    53   0.33900  1.0 3.0
   38    42   -48    67   0.60050  1.0 1.0
   38    42   -48    67   0.05600 -1.0 2.0
   38    42   -48    67   0.26150  1.0 3.0
   38    42    48    55   0.55300  1.0 1.0
   38    42    48    55   1.25850 -1.0 2.0
   38    42    48    55  -0.23600  1.0 3.0
   38    46    49    50   0.00000  1.0 1.0
   38    46    49    51   0.00000  1.0 1.0
   38    46    49    52   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    48   0.00000  1.0 1.0
   39    38    46    47   0.00000  1.0 1.0
   39    38    46    49   0.00000  1.0 1.0
   42    38    46    47   0.30150 -1.0 2.0
   42    38    46    49   0.65300  1.0 1.0
   42    38    46    49  -0.03850 -1.0 2.0
   42    38    46    49   0.33900  1.0 3.0
   42    48    53    54   0.09700  1.0 1.0
   42    48    53    54   0.15600 -1.0 2.0
   42    48    53    54  -0.50800  1.0 3.0
   42    48    53    57  -0.51250  1.0 1.0
   42    48    53    57  -0.88800 -1.0 2.0
   42    48    53    57   0.08850  1.0 3.0
   42    48    67    63  -0.95700  1.0 1.0
   42    48    67    63  -0.18200 -1.0 2.0
   42    48    67    63   0.29450  1.0 3.0
   42    48    67    68  -0.11250  1.0 3.0
   42    48    67    40  -0.95700  1.0 1.0
   42    48    67    40  -0.18200 -1.0 2.0
   42    48    67    40   0.29450  1.0 3.0
   42    48    55    56   0.91850  1.0 1.0
   42    48    55    56   0.57950  1.0 3.0
   43    42    48    53   0.30150 -1.0 2.0
   43    42    48    67   0.30150 -1.0 2.0
   43    42    48    55   0.30150 -1.0 2.0
   48    53    57    58   7.00000 -1.0 2.0
   48    53    57    59   7.00000 -1.0 2.0
   48    67   -40    33   0.56750  1.0 1.0
   48    67   -40    33  -0.07550 -1.0 2.0
   48    67   -40    33   0.20000  1.0 3.0
   48    67    40    41   0.15000  1.0 3.0
   48    67    40    44   0.86500  1.0 1.0
   48    67    40    44  -0.17500 -1.0 2.0
   48    67    40    44   0.20800  1.0 3.0
   53    48    67    63   0.34400  1.0 1.0
   53    48    67    63   0.09450 -1.0 2.0
   53    48    67    63   0.11100  1.0 3.0
   53    48    67    68   0.15000  1.0 3.0
   53    48    67    40   0.34400  1.0 1.0
   53    48    67    40   0.09450 -1.0 2.0
   53    48    67    40   0.11100  1.0 3.0
   53    48    55    56  -0.07800  1.0 1.0
   53    48    55    56  -0.21500 -1.0 2.0
   53    48    55    56  -0.03150  1.0 3.0
   53    57    58    61   0.28850  1.0 1.0
   53    57    58    61   2.61350 -1.0 2.0
   53    57    58    61   0.78400  1.0 3.0
   53    57   -58    63  -0.18600  1.0 3.0
   53    57    59    77  -1.65800  1.0 1.0
   53    57    59    77   0.77650 -1.0 2.0
   53    57    59    60   1.00000 -1.0 2.0
   54    53    57    58   7.00000 -1.0 2.0
   54    53    57    59   7.00000 -1.0 2.0
   57    58    61    62   7.00000 -1.0 2.0
   57    58    61    66   7.00000 -1.0 2.0
   57    58    63    64   0.00000  1.0 1.0
   57    58    63    65   0.00000  1.0 1.0
   57    58    63    67   0.98200  1.0 1.0
   57    58    63    67  -0.11900 -1.0 2.0
   57    58    63    67   0.24250  1.0 3.0
   58    57    59    77  -1.65800  1.0 1.0
   58    57    59    77   0.77650 -1.0 2.0
   58    57    59    60   1.00000 -1.0 2.0
   58    61    66    69   0.15800  1.0 1.0
   58    61    66    69   1.85350 -1.0 2.0
   58    61    66    69  -0.48700  1.0 3.0
   58    61   -66    77   0.15800  1.0 1.0
   58    61   -66    77   1.85350 -1.0 2.0
   58    61   -66    77  -0.48700  1.0 3.0
   58    63   -67    48   0.34400  1.0 1.0
   58    63   -67    48   0.09450 -1.0 2.0
   58    63   -67    48   0.11100  1.0 3.0
   58    63    67    68   0.15000  1.0 3.0
   58    63    67    40   0.34400  1.0 1.0
   58    63    67    40   0.09450 -1.0 2.0
   58    63    67    40   0.11100  1.0 3.0
   61    58    63    64   0.00000  1.0 1.0
   61    58    63    65   0.00000  1.0 1.0
   61    58    63    67   0.09850  1.0 1.0
   61    58    63    67   0.15250 -1.0 2.0
   61    58    63    67  -0.50650  1.0 3.0
   61    66    69    70   3.62500 -1.0 2.0
   61    66    69    71   3.62500 -1.0 2.0
   61    66    77    76   3.62500 -1.0 2.0
   61    66    77    59   3.62500 -1.0 2.0
   62    61    66    69   0.56550  1.0 3.0
   62    61    66    77   0.56550  1.0 3.0
   66    69    71    72   3.62500 -1.0 2.0
   66    69    71    74   3.62500 -1.0 2.0
   66    77   -59    57  -0.11500  1.0 1.0
   66    77   -59    57   1.10450 -1.0 2.0
   66    77   -59    57  -0.48050  1.0 3.0
   66    77    59    60   1.05000 -1.0 2.0
   69    66    77    76   3.62500 -1.0 2.0
   69    66    77    59   3.62500 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71   -72    76   3.62500 -1.0 2.0
   69    71    74    75   0.84100 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    74   3.62500 -1.0 2.0
   71    72    76    77   3.62500 -1.0 2.0
   71    72    76    78   3.62500 -1.0 2.0
   72    71    74    75   0.84100 -1.0 2.0
   72    76   -77    66   3.62500 -1.0 2.0
   72    76    77    59   3.62500 -1.0 2.0
   72    76    78    79   0.84100 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    78   3.62500 -1.0 2.0
   76    77    59    57  -0.11500  1.0 1.0
   76    77    59    57   1.10450 -1.0 2.0
   76    77    59    57  -0.48050  1.0 3.0
   76    77    59    60   1.05000 -1.0 2.0
   77    66    69    70   3.62500 -1.0 2.0
   77    66   -69    71   3.62500 -1.0 2.0
   77    76    78    79   0.84100 -1.0 2.0
   59    57   -58    61  -0.18600  1.0 3.0
   59    57    58    63   1.08500 -1.0 2.0
   78    76    77    66   3.62500 -1.0 2.0
   78    76    77    59   3.62500 -1.0 2.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    76   3.62500 -1.0 2.0
   63    58    61    62   7.00000 -1.0 2.0
   63    58    61    66   7.00000 -1.0 2.0
   63    67    40    33   0.56750  1.0 1.0
   63    67    40    33  -0.07550 -1.0 2.0
   63    67    40    33   0.20000  1.0 3.0
   63    67    40    41   0.15000  1.0 3.0
   63    67    40    44   0.86500  1.0 1.0
   63    67    40    44  -0.17500 -1.0 2.0
   63    67    40    44   0.20800  1.0 3.0
   64    63    67    48   0.15000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    40   0.15000  1.0 3.0
   65    63    67    48   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    40   0.15000  1.0 3.0
   67    48    53    54   0.09700  1.0 1.0
   67    48    53    54   0.15600 -1.0 2.0
   67    48    53    54  -0.50800  1.0 3.0
   67    48   -53    57   0.09850  1.0 1.0
   67    48   -53    57   0.15250 -1.0 2.0
   67    48   -53    57  -0.50650  1.0 3.0
   67    48    55    56  -0.11600  1.0 1.0
   67    48    55    56  -0.09450 -1.0 2.0
   67    48    55    56   0.21250  1.0 3.0
   67    40    44    45  -0.11600  1.0 1.0
   67    40    44    45  -0.09450 -1.0 2.0
   67    40    44    45   0.21250  1.0 3.0
   68    67    40    33   0.15000  1.0 3.0
   68    67    40    41   0.15000  1.0 3.0
   68    67    40    44   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    46  -0.95700  1.0 1.0
   40    33    38    46  -0.18200 -1.0 2.0
   40    33    38    46   0.29450  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   55    48    53    54   0.09700  1.0 1.0
   55    48    53    54   0.15600 -1.0 2.0
   55    48    53    54  -0.50800  1.0 3.0
   55    48    53    57   0.67800  1.0 1.0
   55    48    53    57   0.47050 -1.0 2.0
   55    48    53    57  -0.62500  1.0 3.0
   55    48    67    63   0.86500  1.0 1.0
   55    48    67    63  -0.17500 -1.0 2.0
   55    48    67    63   0.20800  1.0 3.0
   55    48    67    68   0.23400  1.0 3.0
   55    48    67    40   0.86500  1.0 1.0
   55    48    67    40  -0.17500 -1.0 2.0
   55    48    67    40   0.20800  1.0 3.0
   46    38    42    43   0.30150 -1.0 2.0
   46    38    42    48   0.65300  1.0 1.0
   46    38    42    48  -0.03850 -1.0 2.0
   46    38    42    48   0.33900  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   47    46    49    52   0.00000  1.0 1.0
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
   38    48    42    43  10.50000 -1.0 2.0
   48    54    53    57   1.10000 -1.0 2.0
   58    59    57    53   1.10000 -1.0 2.0
   57    63    58    61   1.10000 -1.0 2.0
   66    62    61    58   1.10000 -1.0 2.0
   69    77    66    61   4.00000 -1.0 2.0
   71    70    69    66   1.10000 -1.0 2.0
   72    74    71    69   4.00000 -1.0 2.0
   76    73    72    71   1.10000 -1.0 2.0
   77    78    76    72   4.00000 -1.0 2.0
   76    59    77    66   4.00000 -1.0 2.0
   57    77    59    60  10.50000 -1.0 2.0
   38    49    46    47  10.50000 -1.0 2.0
END
