* LIGAND DATABASE FILE (OPLS2005)
*
001      81    80    143    207     418
    1     0 S   NP   _N1_     1    27.85509    94.27524   -23.20203
    2     1 S   H    _HN1     2     1.02776   103.00033   -95.23631
    3     1 S   H    _H1_     3     1.02958    80.64469    11.57721
    4     1 S   H    _H2_     4     1.02835    30.48920   161.49335
    5     1 S   CT   _CA1     5     1.50126   136.24147   121.35908
    6     5 S   HC   _HA1     6     1.09574   105.21908    79.58912
    7     5 S   CO3  _C1_     7     1.53786   112.38378   -40.62178
    8     7 S   O2Z  _O11     8     1.26366   114.99542   -43.49820
    9     7 S   O2Z  _O12     9     1.26235   114.93464   135.62813
   10     5 S   CT   _CB1    10     1.53088   107.42369  -162.47987
   11    10 S   HC   HB11    11     1.09827   109.34496   -50.40438
   12    10 S   HC   HB12    12     1.09817   110.41992    66.15634
   13    10 S   CT   _CG1    13     1.53016   112.66605  -171.47062
   14    13 S   HC   HG11    14     1.09593   110.50078   -64.32932
   15    13 S   HC   HG12    15     1.09656   109.91739    54.88571
   16    13 S   C    _CD1    16     1.51831   112.29961   175.26708
   17    16 S   O    _OE1    17     1.22744   123.22785     0.71546
   18    16 S   N    _N2_    18     1.38575   111.67118  -179.47661
   19    18 S   H    _HN2    19     1.01557   119.00734     4.83465
   20    18 S   CT1  _CA2    20     1.45898   122.92379   177.45363
   21    20 S   HC   _HA2    21     1.09584   108.83066    18.68780
   22    20 S   C    _C2_    22     1.52767   106.67749   -98.15665
   23    22 S   O    _O2_    23     1.23018   122.70797   -32.70493
   24    20 S   CT   _CB2    32     1.53156   112.06872   141.79715
   25    24 S   HC   HB21    33     1.09512   110.37198    51.61889
   26    24 S   HC   HB22    34     1.09447   110.34302   170.68029
   27    22 S   N    _N3_    24     1.38497   112.72706   149.56658
   28    27 S   H    _HN3    25     1.02002   119.77517     2.85300
   29    24 S   S    _SG2    35     1.82678   110.47823   -69.09031
   30    27 S   CT   _CA3    26     1.45374   122.50369   179.31500
   31    30 S   HC   HA31    27     1.09566   106.75827   -78.05974
   32    30 S   HC   HA32    28     1.09554   108.87767    38.14244
   33    29 S   CT   _C14    36     1.84093    99.83039  -172.22037
   34    33 S   HC   _H5_    37     1.09570   109.02980    42.60149
   35    30 S   CO3  _C3_    29     1.52857   114.17585   159.93394
   36    35 S   O2Z  _O31    30     1.26314   115.89050   -34.09119
   37    35 S   O2Z  _O32    31     1.26456   114.63796   146.81973
   38    33 S   C    _C13    38     1.52987   105.29627   160.12495
   39    38 S   O    _O36    39     1.22950   122.90732    86.15684
   40    33 S   CT   _C15    72     1.53095   110.11192   -79.59396
   41    40 S   HC   _H19    73     1.09671   111.08072   -67.51813
   42    40 S   HC   _H20    74     1.09575   110.74246    53.40234
   43    38 S   N    _N5_    40     1.38605   112.67190   -91.63265
   44    43 S   H    _H18    41     1.01837   119.63783    -1.78465
   45    40 S   CO4  _C16    75     1.51385   111.66970   171.78589
   46    45 S   O    _O37    76     1.22308   125.30479    -7.24903
   47    43 S   CT   _C12    42     1.45495   122.95297   173.16126
   48    47 S   HC   _H16    43     1.09610   108.38235    32.91445
   49    47 S   HC   _H17    44     1.09610   106.71534   149.24744
   50    45 S   OS   _O38    77     1.36580   108.98254   173.47364
   51    47 S   CT1  _C11    45     1.53583   111.63208   -89.06131
   52    51 S   HC   _H4_    46     1.09665   110.55074    53.69305
   53    50 S   CT   _C17    78     1.43062   115.21086   179.80119
   54    53 S   HC   _H21    79     1.09328   108.10790   179.61590
   55    53 S   HC   _H22    80     1.09425   110.30570    60.92280
   56    53 S   HC   _H23    81     1.09422   110.27605   -61.69811
   57    51 S   C    _C10    47     1.53061   109.56781   -66.86612
   58    57 S   O    _O35    48     1.22896   123.29019   -93.33040
   59    51 S   NT   _N6_    69     1.46439   110.26670   173.82035
   60    59 S   H    _H24    70     1.01914   109.58348   -62.50753
   61    59 S   H    _H25    71     1.01942   109.51416  -178.79813
   62    57 S   N    _N4_    49     1.38839   111.93319    84.45225
   63    62 S   H    _H15    50     1.01592   118.98225     2.24228
   64    62 S   CT1  _C8_    51     1.46960   123.55095  -167.32739
   65    64 S   HC   _H3_    52     1.09495   107.52379    -8.21028
   66    64 S   CO3  _C9_    53     1.55209   108.84017   106.55948
   67    66 S   O2Z  _O34    54     1.26129   116.65598   124.00773
   68    66 S   O2Z  _O33    55     1.26693   114.58239   -54.80194
   69    64 S   CTD  _C7_    56     1.53577   108.58301  -126.61770
   70    69 S   HC   _H13    57     1.09906   109.17957    43.95429
   71    69 S   HC   _H14    58     1.09759   108.82329   -70.70489
   72    69 S   CT   _C5_    59     1.54310   115.12760   166.19689
   73    72 S   HC   _H9_    60     1.09518   109.96770    51.68173
   74    72 S   CT   _C4_    61     1.52985   112.11972   -68.44427
   75    74 S   HC   _H6_    62     1.09524   111.29394   -56.29616
   76    74 S   HC   _H7_    63     1.09375   111.47154    64.55591
   77    74 S   HC   _H8_    64     1.09549   110.69712  -176.26220
   78    72 S   CT   _C6_    65     1.53142   109.62991   169.52785
   79    78 S   HC   _H10    66     1.09532   111.32135    60.92840
   80    78 S   HC   _H11    67     1.09537   110.75732   -59.38056
   81    78 S   HC   _H12    68     1.09520   110.83687  -178.75699
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  11   4   7   4   3   8   4   6   2  10   5
   4   4   9   6   3   2   1   1  10   4   3   1   1  10   4  11
   7   6   2   1  12   5   4   9   8   7   3   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    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    49    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    50    53    43  
   42    45    46    50  
   45    46    50  
   44    47    48    49    51    52    57    59  
   47    48    49    51  
   46    50    53    54    55    56  
   50    53  
   48    49    51    52    57    58    62    59    60    61  
   49    51    52    57    59  
   51    52    57    59  
   53    54    55    56  
   52    57    58    62    63    64    59    60    61  
   57    58    62    59    60    61  
   54    55    56  
   55    56  
   56  
    0  
   58    62    63    64    65    66    69    59    60    61  
   62    63    64    59  
   60    61    62  
   61  
    0  
   63    64    65    66    67    68    69    70    71    72  
   64    65    66    69  
   65    66    67    68    69    70    71    72    73    74    78  
   66    67    68    69    70    71    72  
   67    68    69    70    71    72  
   68    69  
   69  
   70    71    72    73    74    75    76    77    78    79    80    81  
   71    72    73    74    78  
   72    73    74    78  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   44   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   59   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   60   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   63   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   64   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   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   340.000  1.090
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   490.000  1.335
   43    44   434.000  1.010
   43    47   337.000  1.449
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    57   317.000  1.522
   51    59   305.000  1.457
   57    58   570.000  1.229
   57    62   490.000  1.335
   62    63   434.000  1.010
   62    64   337.000  1.449
   64    65   340.000  1.090
   64    66   317.000  1.522
   64    69   268.000  1.529
   66    67   656.000  1.250
   66    68   656.000  1.250
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    78   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   59    60   434.000  1.010
   59    61   434.000  1.010
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    50   214.000  1.327
   50    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    35.00000  109.50000
   29    33    38    70.00000  112.33000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    70.00000  116.60000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  119.80000
   38    43    47    50.00000  121.90000
   43    38    39    80.00000  122.90000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    51    70.00000  110.72300
   47    43    44    38.00000  118.40000
   47    51    52    37.50000  110.70000
   47    51    57    63.00000  111.10000
   47    51    59    80.00000  111.22000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    57    58    80.00000  120.40000
   51    57    62    70.00000  116.60000
   51    59    60    50.00000  111.55300
   51    59    61    50.00000  111.55300
   57    51    52    35.00000  109.50000
   57    62    63    35.00000  119.80000
   57    62    64    50.00000  121.90000
   62    57    58    80.00000  122.90000
   62    64    65    35.00000  109.50000
   62    64    66    63.00000  110.10000
   62    64    69    80.00000  109.70000
   64    62    63    38.00000  118.40000
   64    66    67    70.00000  117.00000
   64    66    68    70.00000  117.00000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    58.35000  112.70000
   66    64    65    35.00000  109.50000
   68    66    67    80.00000  126.00000
   69    64    65    37.50000  110.70000
   69    64    66    63.00000  111.10000
   69    72    73    37.50000  110.70000
   69    72    74    58.35000  112.70000
   69    72    78    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    81    37.50000  110.70000
   74    72    73    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    72    73    37.50000  110.70000
   78    72    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   59    51    52    50.00000  109.55000
   59    51    57    75.00000  111.54000
   61    59    60    43.60000  106.40000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    45    46    80.00000  120.40000
   40    45    50    81.00000  111.40000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    50    53    83.00000  116.90000
   50    45    46    83.00000  123.40000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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   0.32350  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    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   0.30150 -1.0 2.0
   29    33    38    43   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   2.45000 -1.0 2.0
   33    38    43    47   1.49850  1.0 1.0
   33    38    43    47   1.53950 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    50   0.36750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    45   0.11950  1.0 1.0
   38    33    40    45   0.20300 -1.0 2.0
   38    33    40    45  -0.70800  1.0 3.0
   38    43    47    48   0.00000  1.0 1.0
   38    43    47    49   0.00000  1.0 1.0
   38    43    47    51  -0.43950  1.0 1.0
   38    43    47    51  -0.08100 -1.0 2.0
   38    43    47    51   0.03350  1.0 3.0
   39    38    43    44   2.45000 -1.0 2.0
   39    38    43    47   3.04450 -1.0 2.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    57  -2.10200  1.0 1.0
   43    47    51    57  -0.31600 -1.0 2.0
   43    47    51    57   0.13050  1.0 3.0
   43    47    51    59   2.65250  1.0 1.0
   43    47    51    59   0.86150 -1.0 2.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   44    43    47    51   0.00000  1.0 1.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    62   0.93250  1.0 1.0
   47    51    57    62   0.04450 -1.0 2.0
   47    51    57    62   0.17550  1.0 3.0
   47    51    59    60  -0.05950  1.0 1.0
   47    51    59    60   0.08850 -1.0 2.0
   47    51    59    60   0.11750  1.0 3.0
   47    51    59    61  -0.05950  1.0 1.0
   47    51    59    61   0.08850 -1.0 2.0
   47    51    59    61   0.11750  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    57  -0.03800  1.0 3.0
   48    47    51    59   0.15000  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    57  -0.03800  1.0 3.0
   49    47    51    59   0.15000  1.0 3.0
   51    57    62    63   2.45000 -1.0 2.0
   51    57    62    64   1.15000  1.0 1.0
   51    57    62    64   3.04450 -1.0 2.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    62   0.00000  1.0 1.0
   52    51    59    60   0.20000  1.0 3.0
   52    51    59    61   0.20000  1.0 3.0
   57    51    59    60   0.21900  1.0 1.0
   57    51    59    60  -0.24900 -1.0 2.0
   57    51    59    60   0.15200  1.0 3.0
   57    51    59    61   0.21900  1.0 1.0
   57    51    59    61  -0.24900 -1.0 2.0
   57    51    59    61   0.15200  1.0 3.0
   57    62    64    65   0.00000  1.0 1.0
   57    62    64    66  -0.29800  1.0 1.0
   57    62    64    66   0.13950 -1.0 2.0
   57    62    64    66  -2.45650  1.0 3.0
   57    62    64    69   0.25950  1.0 1.0
   57    62    64    69   0.43850 -1.0 2.0
   57    62    64    69   2.61650  1.0 3.0
   58    57    62    63   2.45000 -1.0 2.0
   58    57    62    64   3.04450 -1.0 2.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    68   0.00000  1.0 1.0
   62    64    69    70   0.23200  1.0 3.0
   62    64    69    71   0.23200  1.0 3.0
   62    64    69    72   0.26400  1.0 1.0
   62    64    69    72   0.16150 -1.0 2.0
   62    64    69    72   0.25850  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    69   0.00000  1.0 1.0
   64    69    72    73   0.15000  1.0 3.0
   64    69    72    74   0.65000  1.0 1.0
   64    69    72    74  -0.02500 -1.0 2.0
   64    69    72    74   0.10000  1.0 3.0
   64    69    72    78   0.65000  1.0 1.0
   64    69    72    78  -0.02500 -1.0 2.0
   64    69    72    78   0.10000  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    72   0.15000  1.0 3.0
   66    64    69    70  -0.03800  1.0 3.0
   66    64    69    71  -0.03800  1.0 3.0
   66    64    69    72  -0.45800  1.0 1.0
   66    64    69    72   0.20550 -1.0 2.0
   69    64    66    67   0.00000  1.0 1.0
   69    64    66    68   0.00000  1.0 1.0
   69    72    74    75   0.15000  1.0 3.0
   69    72    74    76   0.15000  1.0 3.0
   69    72    74    77   0.15000  1.0 3.0
   69    72    78    79   0.15000  1.0 3.0
   69    72    78    80   0.15000  1.0 3.0
   69    72    78    81   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    78   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    78   0.15000  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.15000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    81   0.15000  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    81   0.15000  1.0 3.0
   78    72    74    75   0.15000  1.0 3.0
   78    72    74    76   0.15000  1.0 3.0
   78    72    74    77   0.15000  1.0 3.0
   59    51    57    58   0.30150 -1.0 2.0
   59    51    57    62   0.00000  1.0 1.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   1.39750  1.0 1.0
   40    33    38    43  -0.07950 -1.0 2.0
   40    33    38    43  -0.18750  1.0 3.0
   40    45    50    53   1.63150  1.0 1.0
   40    45    50    53   2.92000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    50   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    50   0.00000  1.0 1.0
   45    50    53    54   0.08050  1.0 3.0
   45    50    53    55   0.08050  1.0 3.0
   45    50    53    56   0.08050  1.0 3.0
   46    45    50    53   3.00000 -1.0 2.0
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
   33    43    38    39  10.50000 -1.0 2.0
   44    38    43    47   1.00000 -1.0 2.0
   51    62    57    58  10.50000 -1.0 2.0
   63    57    62    64   1.00000 -1.0 2.0
   67    64    66    68  10.50000 -1.0 2.0
   40    50    45    46  10.50000 -1.0 2.0
END
