* LIGAND DATABASE FILE (OPLS2005)
*
001      83    83    151    225     445
    1     0 S   NP   _N1_     1    30.28477   100.94272   -21.29023
    2     1 S   H    _HN1     2     1.03474   120.52887   -73.76230
    3     1 S   H    _H1_     3     1.02851    19.33324   -19.45547
    4     1 S   H    _H2_     4     1.02765    88.73534   176.56567
    5     1 S   CT   _CA1     5     1.50011   114.55881    63.95856
    6     5 S   HC   _HA1     6     1.09554   104.89586   158.58202
    7     5 S   CO3  _C1_     7     1.53639   113.60275    37.96202
    8     7 S   O2Z  _O11     8     1.26361   115.15100   -31.03149
    9     7 S   O2Z  _O12     9     1.26275   114.94061   148.55530
   10     5 S   CT   _CB1    10     1.52992   107.48165   -82.99074
   11    10 S   HC   HB11    11     1.09579   109.42623   -40.80146
   12    10 S   HC   HB12    12     1.09813   110.40970    74.86059
   13    10 S   CT   _CG1    13     1.53178   112.89907  -163.34040
   14    13 S   HC   HG11    14     1.09486   111.07495   -93.71242
   15    13 S   HC   HG12    15     1.09611   111.48096    25.42164
   16    13 S   C    _CD1    16     1.51452   109.35776   145.89765
   17    16 S   O    _OE1    17     1.22737   121.95456    87.78230
   18    16 S   N    _N2_    18     1.38475   112.18918   -89.24897
   19    18 S   H    _HN2    19     1.01572   119.04605    -4.62322
   20    18 S   CT1  _CA2    20     1.46224   123.92625   172.82624
   21    20 S   HC   _HA2    21     1.09732   109.15709   -16.30899
   22    20 S   C    _C2_    22     1.53781   107.82356  -131.57230
   23    22 S   O    _O2_    23     1.23007   122.45672  -152.06666
   24    20 S   CT   _CB2    32     1.53396   111.68446   106.46536
   25    24 S   HC   HB21    33     1.09365   109.80150    54.66719
   26    24 S   HC   HB22    34     1.09542   110.31340   172.31477
   27    22 S   N    _N3_    24     1.38487   113.51880    35.01577
   28    27 S   H    _HN3    25     1.01472   119.07562    -1.11452
   29    24 S   S    _SG2    35     1.83314   111.14134   -69.89438
   30    27 S   CT   _CA3    26     1.45301   123.59054   178.50655
   31    30 S   HC   HA31    27     1.09539   107.19240   -73.19675
   32    30 S   HC   HA32    28     1.09553   108.32618    43.26818
   33    29 S   CT   _C13    36     1.85799   103.36994   134.67757
   34    33 S   OM   _O35    37     1.32256   109.10909    53.80244
   35    30 S   CO3  _C3_    29     1.53095   114.25206   165.53015
   36    35 S   O2Z  _O31    30     1.26453   116.34783    -1.55708
   37    35 S   O2Z  _O32    31     1.26408   114.41794   178.54761
   38    33 S   CT   _C12    38     1.55151   110.62750   -64.66582
   39    38 S   HC   _H12    39     1.10302   110.18802   166.38395
   40    38 S   HC   _H13    40     1.09808   112.67907    51.39452
   41    38 S   CT   _C11    41     1.52966   113.65675   -73.25086
   42    41 S   HC   _H4_    42     1.09281   111.12583    65.49489
   43    41 S   CT   _C10    43     1.52196   110.50892   -57.64815
   44    43 S   HC   _H10    44     1.09709   110.28041  -174.26240
   45    43 S   HC   _H11    45     1.10046   109.17626   -61.87208
   46    41 S   OH   _O36    82     1.42641   109.36457  -176.48944
   47    46 S   HO   _H14    83     0.97218   107.58765   -58.06686
   48    43 S   CT   _C9_    46     1.54031   112.96071    60.16886
   49    33 S   CT   _C8_    47     1.57971   111.79376   173.35123
   50    49 S   HC   _H3_    48     1.10563   106.30847  -170.74483
   51    48 S   CT   _C14    60     1.54485   111.82823    74.41222
   52    51 S   HC   _H15    61     1.09000   111.81592   -67.39904
   53    51 S   HC   _H16    62     1.09481   111.36646   172.68064
   54    48 S   OH   _O40    80     1.44027   105.27512  -169.23667
   55    54 S   HO   _H24    81     0.97381   108.44249  -176.74232
   56    49 S   CO4  _C7_    49     1.54866   113.29938   -57.72257
   57    56 S   O    _O34    50     1.23159   123.05507    77.94268
   58    51 S   CO4  _C15    63     1.52479   114.03000    54.73258
   59    58 S   O    _O37    64     1.23175   121.63153    67.42925
   60    56 S   CT   _C6_    51     1.51549   117.26507  -103.67098
   61    60 S   HC   _H8_    52     1.09562   107.76349   143.09295
   62    60 S   HC   _H9_    53     1.09381   109.89504    26.23704
   63    58 S   CT   _C16    65     1.51257   117.57627  -112.91637
   64    63 S   HC   _H17    66     1.09387   108.65868    50.62872
   65    63 S   HC   _H18    67     1.09556   108.08244   167.49879
   66    60 S   CO4  _C5_    54     1.51030   113.93244   -96.35704
   67    66 S   O    _O33    55     1.23026   122.58663    -2.34385
   68    63 S   CO4  _C17    68     1.51345   114.64873   -71.76821
   69    68 S   O    _O38    69     1.22947   121.84781    -0.15323
   70    66 S   CT   _C4_    56     1.50592   116.30046   178.03696
   71    70 S   HC   _H5_    57     1.09274   109.57851    60.42507
   72    70 S   HC   _H6_    58     1.09353   109.72657   179.91607
   73    70 S   HC   _H7_    59     1.09276   109.58028   -60.63682
   74    68 S   CT   _C18    70     1.51556   115.58782   179.34538
   75    74 S   HC   _H19    71     1.09560   108.39690    57.66453
   76    74 S   HC   _H20    72     1.09417   106.94667   -58.97863
   77    74 S   CO4  _C19    73     1.51030   115.22303   177.86064
   78    77 S   O    _O39    74     1.22511   123.62856   -42.93011
   79    77 S   S    _S1_    75     1.76674   114.03455   139.70581
   80    79 S   CT   _C20    76     1.80570   100.27715  -174.05031
   81    80 S   HC   _H21    77     1.09323   109.27330   178.66470
   82    80 S   HC   _H22    78     1.09340   110.50294    59.32588
   83    80 S   HC   _H23    79     1.09335   110.55267   -62.00452
  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  13   6   5  10   6  14   6   5   2   1  13
  13   5  11   5   4   3   1   7   4   7   4   8   4   3   8   4
   3   5   4   7   4   3   2   1   1   6   4   3   6   2   4   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    49    50    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    49    50    56    57    60    51    54    46  
   38    39    40    41    48    49    50    56  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    49    50    56    46    47  
   40    41    42    43    49    46  
   41    42    43    49    46  
   42    43    44    45    48    49    51    54    46    47  
   43    44    45    48    46    47  
   44    45    48    49    50    56    51    52    53    58    54    55    46    47  
   45    48    49    51    54    46  
   48    49    51    54    46  
   47    48  
    0  
   49    50    56    57    60    51    52    53    58    59    63    54    55  
   50    56    57    60    61    62    66    51    52    53    58    54    55  
   56    57    60    51    54  
   52    53    58    59    63    64    65    68    54    55    56  
   53    58    59    63    54  
   58    59    63    54  
   55    56    58  
    0  
   57    60    61    62    66    67    70  
   60    61    62    66  
   59    63    64    65    68    69    74  
   63    64    65    68  
   61    62    66    67    70    71    72    73  
   62    66    67    70  
   66    67    70  
   64    65    68    69    74    75    76    77  
   65    68    69    74  
   68    69    74  
   67    70    71    72    73  
   70    71    72    73  
   69    74    75    76    77    78    79  
   74    75    76    77  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79    80  
   76    77    78    79  
   77    78    79  
   78    79    80    81    82    83  
   79    80  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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  -0.120000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   80   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   268.000  1.529
   48    51   268.000  1.529
   48    54   320.000  1.410
   49    50   340.000  1.090
   49    56   317.000  1.522
   56    57   570.000  1.229
   56    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   317.000  1.522
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   317.000  1.522
   58    59   570.000  1.229
   58    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   317.000  1.522
   68    69   570.000  1.229
   68    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   317.000  1.522
   77    78   570.000  1.229
   77    79   210.000  1.799
   79    80   222.000  1.810
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   54    55   553.000  0.945
   46    47   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    48    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    56    63.00000  111.10000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    58.35000  112.70000
   41    46    47    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    48    49    58.35000  112.70000
   43    48    51    58.35000  112.70000
   43    48    54    50.00000  109.50000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    49    50    37.50000  110.70000
   48    49    56    63.00000  111.10000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    58    63.00000  111.10000
   48    54    55    55.00000  108.50000
   49    33    34    50.00000  109.50000
   49    33    38    58.35000  112.70000
   49    56    57    80.00000  120.40000
   49    56    60    70.00000  116.00000
   56    49    50    35.00000  109.50000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    66    75.00000  107.99600
   60    56    57    80.00000  120.40000
   60    66    67    80.00000  120.40000
   60    66    70    70.00000  116.00000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    73    35.00000  109.50000
   70    66    67    80.00000  120.40000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   51    48    49    58.35000  112.70000
   51    58    59    80.00000  120.40000
   51    58    63    70.00000  116.00000
   53    51    52    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    53    35.00000  109.50000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    68    75.00000  107.99600
   63    58    59    80.00000  120.40000
   63    68    69    80.00000  120.40000
   63    68    74    70.00000  116.00000
   65    63    64    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    35.00000  109.50000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    77    75.00000  107.99600
   74    68    69    80.00000  120.40000
   74    77    78    80.00000  120.40000
   74    77    79    70.00000  114.16300
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   77    79    80    90.00000   96.72000
   79    77    78    80.00000  121.30200
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   54    48    49    50.00000  109.50000
   54    48    51    50.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    43    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    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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    48   0.44750  1.0 1.0
   29    33    49    48  -0.17800 -1.0 2.0
   29    33    49    48   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    56   0.56750  1.0 1.0
   29    33    49    56  -0.07550 -1.0 2.0
   29    33    49    56   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.86500  1.0 1.0
   33    38    41    46  -0.17500 -1.0 2.0
   33    38    41    46   0.20800  1.0 3.0
   33    49    56    57   0.30150 -1.0 2.0
   33    49    56    60   0.60050  1.0 1.0
   33    49    56    60   0.05600 -1.0 2.0
   33    49    56    60   0.26150  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    49    48   0.62750  1.0 1.0
   34    33    49    48  -0.30950 -1.0 2.0
   34    33    49    48   0.27300  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   34    33    49    56  -0.09450  1.0 1.0
   34    33    49    56  -1.12950 -1.0 2.0
   34    33    49    56   0.54000  1.0 3.0
   38    33    49    48   0.56750  1.0 1.0
   38    33    49    48  -0.07550 -1.0 2.0
   38    33    49    48   0.20000  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    56  -0.95700  1.0 1.0
   38    33    49    56  -0.18200 -1.0 2.0
   38    33    49    56   0.29450  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    48   0.56750  1.0 1.0
   38    41   -43    48  -0.07550 -1.0 2.0
   38    41   -43    48   0.20000  1.0 3.0
   38    41    46    47  -0.11600  1.0 1.0
   38    41    46    47  -0.09450 -1.0 2.0
   38    41    46    47   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   41    43    48    49   0.56750  1.0 1.0
   41    43    48    49  -0.07550 -1.0 2.0
   41    43    48    49   0.20000  1.0 3.0
   41    43    48    51   0.56750  1.0 1.0
   41    43    48    51  -0.07550 -1.0 2.0
   41    43    48    51   0.20000  1.0 3.0
   41    43    48    54   0.86500  1.0 1.0
   41    43    48    54  -0.17500 -1.0 2.0
   41    43    48    54   0.20800  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   43    41    46    47  -0.11600  1.0 1.0
   43    41    46    47  -0.09450 -1.0 2.0
   43    41    46    47   0.21250  1.0 3.0
   43    48   -49    33   0.56750  1.0 1.0
   43    48   -49    33  -0.07550 -1.0 2.0
   43    48   -49    33   0.20000  1.0 3.0
   43    48    49    50   0.15000  1.0 3.0
   43    48    49    56  -0.95700  1.0 1.0
   43    48    49    56  -0.18200 -1.0 2.0
   43    48    49    56   0.29450  1.0 3.0
   43    48    51    52   0.15000  1.0 3.0
   43    48    51    53   0.15000  1.0 3.0
   43    48    51    58  -0.95700  1.0 1.0
   43    48    51    58  -0.18200 -1.0 2.0
   43    48    51    58   0.29450  1.0 3.0
   43    48    54    55  -0.11600  1.0 1.0
   43    48    54    55  -0.09450 -1.0 2.0
   43    48    54    55   0.21250  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    43    48    54   0.23400  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    51   0.15000  1.0 3.0
   45    43    48    54   0.23400  1.0 3.0
   48    49    56    57   0.30150 -1.0 2.0
   48    49    56    60   0.60050  1.0 1.0
   48    49    56    60   0.05600 -1.0 2.0
   48    49    56    60   0.26150  1.0 3.0
   48    51    58    59   0.30150 -1.0 2.0
   48    51    58    63   0.60050  1.0 1.0
   48    51    58    63   0.05600 -1.0 2.0
   48    51    58    63   0.26150  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    58  -0.95700  1.0 1.0
   49    48    51    58  -0.18200 -1.0 2.0
   49    48    51    58   0.29450  1.0 3.0
   49    48    54    55  -0.11600  1.0 1.0
   49    48    54    55  -0.09450 -1.0 2.0
   49    48    54    55   0.21250  1.0 3.0
   49    56    60    61   0.00000  1.0 1.0
   49    56    60    62   0.00000  1.0 1.0
   49    56    60    66   0.65300  1.0 1.0
   49    56    60    66  -0.03850 -1.0 2.0
   49    56    60    66   0.33900  1.0 3.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    60   0.00000  1.0 1.0
   56    60    66    67   0.30150 -1.0 2.0
   56    60    66    70   0.65300  1.0 1.0
   56    60    66    70  -0.03850 -1.0 2.0
   56    60    66    70   0.33900  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   57    56    60    66   0.30150 -1.0 2.0
   60    66    70    71   0.00000  1.0 1.0
   60    66    70    72   0.00000  1.0 1.0
   60    66    70    73   0.00000  1.0 1.0
   61    60    66    67   0.00000  1.0 1.0
   61    60    66    70   0.00000  1.0 1.0
   62    60    66    67   0.00000  1.0 1.0
   62    60    66    70   0.00000  1.0 1.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    73   0.00000  1.0 1.0
   51    48    49    33   0.56750  1.0 1.0
   51    48    49    33  -0.07550 -1.0 2.0
   51    48    49    33   0.20000  1.0 3.0
   51    48    49    50   0.15000  1.0 3.0
   51    48    49    56  -0.95700  1.0 1.0
   51    48    49    56  -0.18200 -1.0 2.0
   51    48    49    56   0.29450  1.0 3.0
   51    48    54    55  -0.11600  1.0 1.0
   51    48    54    55  -0.09450 -1.0 2.0
   51    48    54    55   0.21250  1.0 3.0
   51    58    63    64   0.00000  1.0 1.0
   51    58    63    65   0.00000  1.0 1.0
   51    58    63    68   0.65300  1.0 1.0
   51    58    63    68  -0.03850 -1.0 2.0
   51    58    63    68   0.33900  1.0 3.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    63   0.00000  1.0 1.0
   53    51    58    59   0.00000  1.0 1.0
   53    51    58    63   0.00000  1.0 1.0
   58    63    68    69   0.30150 -1.0 2.0
   58    63    68    74   0.65300  1.0 1.0
   58    63    68    74  -0.03850 -1.0 2.0
   58    63    68    74   0.33900  1.0 3.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    65   0.00000  1.0 1.0
   59    58    63    68   0.30150 -1.0 2.0
   63    68    74    75   0.00000  1.0 1.0
   63    68    74    76   0.00000  1.0 1.0
   63    68    74    77   0.65300  1.0 1.0
   63    68    74    77  -0.03850 -1.0 2.0
   63    68    74    77   0.33900  1.0 3.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    74   0.00000  1.0 1.0
   65    63    68    69   0.00000  1.0 1.0
   65    63    68    74   0.00000  1.0 1.0
   68    74    77    78   0.30150 -1.0 2.0
   68    74    77    79   0.00000  1.0 1.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    74    76   0.00000  1.0 1.0
   69    68    74    77   0.30150 -1.0 2.0
   74    77    79    80  -0.11550  1.0 1.0
   74    77    79    80   1.88700 -1.0 2.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   76    74    77    78   0.00000  1.0 1.0
   76    74    77    79   0.00000  1.0 1.0
   77    79    80    81   0.24000  1.0 3.0
   77    79    80    82   0.24000  1.0 3.0
   77    79    80    83   0.24000  1.0 3.0
   78    77    79    80  -0.11550  1.0 1.0
   78    77    79    80   1.88700 -1.0 2.0
   54    48    49    33   0.86500  1.0 1.0
   54    48    49    33  -0.17500 -1.0 2.0
   54    48    49    33   0.20800  1.0 3.0
   54    48    49    50   0.23400  1.0 3.0
   54    48    49    56  -0.09450  1.0 1.0
   54    48    49    56  -1.12950 -1.0 2.0
   54    48    49    56   0.54000  1.0 3.0
   54    48    51    52   0.23400  1.0 3.0
   54    48    51    53   0.23400  1.0 3.0
   54    48    51    58  -0.09450  1.0 1.0
   54    48    51    58  -1.12950 -1.0 2.0
   54    48    51    58   0.54000  1.0 3.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    48   0.86500  1.0 1.0
   46    41    43    48  -0.17500 -1.0 2.0
   46    41    43    48   0.20800  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
   49    60    56    57  10.50000 -1.0 2.0
   60    70    66    67  10.50000 -1.0 2.0
   51    63    58    59  10.50000 -1.0 2.0
   63    74    68    69  10.50000 -1.0 2.0
   74    79    77    78  10.50000 -1.0 2.0
END
