* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    155    240     452
    1     0 S   NP   _N1_     1    28.87693    99.40194   -22.41003
    2     1 S   H    _HN1     2     1.02781    87.52566   -66.91177
    3     1 S   H    _H1_     3     1.02953    60.18547    45.92385
    4     1 S   H    _H2_     4     1.02832    60.80349  -179.03146
    5     1 S   CT   _CA1     5     1.50113   160.27722   111.85557
    6     5 S   HC   _HA1     6     1.09574   105.21411   119.95292
    7     5 S   CO3  _C1_     7     1.53776   112.43329    -0.27695
    8     7 S   O2Z  _O11     8     1.26364   114.99931   -43.29019
    9     7 S   O2Z  _O12     9     1.26237   114.93712   135.86994
   10     5 S   CT   _CB1    10     1.53087   107.42752  -122.09696
   11    10 S   HC   HB11    11     1.09829   109.34325   -50.36037
   12    10 S   HC   HB12    12     1.09814   110.44910    66.22689
   13    10 S   CT   _CG1    13     1.52988   112.61820  -171.38979
   14    13 S   HC   HG11    14     1.09589   110.56488   -65.17782
   15    13 S   HC   HG12    15     1.09669   109.84929    54.04783
   16    13 S   C    _CD1    16     1.51800   112.29886   174.44949
   17    16 S   O    _OE1    17     1.22731   123.31555     3.82592
   18    16 S   N    _N2_    18     1.38650   111.62099  -176.15672
   19    18 S   H    _HN2    19     1.01589   118.97583     1.37145
   20    18 S   CT1  _CA2    20     1.46163   123.38477   177.82831
   21    20 S   HC   _HA2    21     1.09743   109.32721     0.31959
   22    20 S   C    _C2_    22     1.53517   108.84894  -115.15493
   23    22 S   O    _O2_    23     1.23060   122.22899  -150.22417
   24    20 S   CT   _CB2    32     1.53267   111.57725   122.24751
   25    24 S   HC   HB21    33     1.09595   110.25696    55.84564
   26    24 S   HC   HB22    34     1.09433   110.13663   174.95414
   27    22 S   N    _N3_    24     1.38308   113.73546    37.29262
   28    27 S   H    _HN3    25     1.01596   119.54363    -3.59891
   29    24 S   S    _SG2    35     1.82717   111.50819   -64.85378
   30    27 S   CT   _CA3    26     1.45281   123.22234   177.06615
   31    30 S   HC   HA31    27     1.09549   107.50492   -64.63726
   32    30 S   HC   HA32    28     1.09556   107.99437    51.80432
   33    29 S   CT   _C15    36     1.85482    99.68252  -175.80306
   34    33 S   HC   _H3_    37     1.09889   103.66244    -9.87745
   35    30 S   CO3  _C3_    29     1.52959   114.07032   173.78653
   36    35 S   O2Z  _O31    30     1.26380   116.05527    -1.20106
   37    35 S   O2Z  _O32    31     1.26433   114.41123   178.86737
   38    33 S   CT   _C13    38     1.56314   115.32385   106.20556
   39    38 S   HC   _H35    39     1.08642   109.42465   125.76393
   40    33 S   CT   _C17    63     1.57361   110.76089  -121.06385
   41    38 S   CT   _C11    40     1.53845   120.31583    -3.30310
   42    41 S   HC   _H33    41     1.09243   113.59499    28.93808
   43    40 S   CT   _C20    64     1.53938   111.51427   175.13385
   44    43 S   HC   _H44    65     1.09637   110.55293   -53.67033
   45    43 S   HC   _H45    66     1.09656   110.69968  -170.88057
   46    43 S   HC   _H46    67     1.09219   113.40595    67.97124
   47    40 S   OH   _O22    68     1.45237   104.87934    62.51841
   48    47 S   HO   _H47    69     0.97251   108.36232   176.73032
   49    41 S   CM   _C4_    42     1.49467    99.60171   -89.36335
   50    41 S   CT   _C14    49     1.55567   115.16645   152.88316
   51    50 S   HC   _H36    50     1.09946   107.39367   157.85807
   52    49 S   CO4  _C5_    43     1.47359   109.08151   -24.97162
   53    52 S   O    _O18    44     1.21669   127.31011  -168.45909
   54    49 S   CM   _C6_    46     1.33539   128.41043   152.44854
   55    54 S   HC   _H25    47     1.08494   120.76906     1.35797
   56    54 S   HC   _H26    48     1.08511   121.69524  -178.44506
   57    50 S   CT   _C10    51     1.54453   113.42658   -84.79365
   58    57 S   HC   _H31    52     1.09687   109.30955  -176.26865
   59    57 S   HC   _H32    53     1.09794   108.38242   -61.15252
   60    50 S   OS   _O23    75     1.44338   110.37673    39.68052
   61    38 S   OS   _O20    45     1.45724   106.68564  -121.50894
   62    57 S   C3T  _C16    54     1.50863   114.91662    62.06730
   63    60 S   CO4  _C7_    76     1.36213   117.84437   150.84333
   64    63 S   O    _O19    77     1.22287   126.47468     0.50783
   65    62 S   C3T  _C12    55     1.52749   117.90318   -85.52704
   66    65 S   HC   _H34    56     1.08107   120.53047    -0.63796
   67    62 S   CT   _C19    71     1.50283   117.14710    76.65363
   68    67 S   HC   _H41    72     1.09537   112.00298   156.39850
   69    67 S   HC   _H42    73     1.09500   110.77199    37.06819
   70    67 S   HC   _H43    74     1.09350   110.97935   -83.09652
   71    63 S   CT   _C18    78     1.49823   109.38301  -179.73607
   72    71 S   HC   _H38    79     1.09289   109.79459   -62.09163
   73    71 S   HC   _H39    80     1.09373   109.37383   178.78083
   74    71 S   HC   _H40    81     1.09299   109.82312    59.77971
   75    65 S   CT   _C8_    57     1.49458   122.52205   157.03122
   76    75 S   HC   _H27    58     1.09793   107.41082   106.39931
   77    75 S   HC   _H28    59     1.09298   112.02942    -9.39689
   78    62 S   O3T  _O21    70     1.43531   113.98042  -150.53580
   79    75 S   CT   _C9_    60     1.53274   113.94515  -134.99598
   80    79 S   HC   _H29    61     1.10063   105.93153  -162.29641
   81    79 S   HC   _H30    62     1.09666   109.68375   -51.33929
  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
  20   8   2   1   1  16   7  15  16   8   9   4   3   2   5   1
  10  15   6   5   2   3   1   1  13   6   5   7   1  11   5   4
  12   6   5   3   2   1   3   2   1   1   6   5   4   1   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    41    61    79    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    52    61    50    75    79    80    81    40    43    44    45    46    47    48  
   38    39    41    61    79    40    43    47  
   36    37  
   37  
    0  
   39    41    42    49    52    53    61    54    50    51    57    79    40    43    47    60  
   41    42    49    52    61    50    40  
   43    44    45    46    47    48    41    61    65    75    76    77    79    80    81  
   42    49    52    53    61    54    55    56    50    51    57    58    59    62    60    63  
   49    52    61    54    50    51    57    60  
   44    45    46    47    48    75    79    80    81  
   45    46    47    79  
   46    47    79  
   47    79  
   48    75    79    80    81  
   79  
   52    53    61    54    55    56    50    51    57    60  
   51    57    58    59    62    65    78    67    60    63    64    71    52    54    61  
   57    58    59    62    60    63  
   53    61    54    55    56  
   61    54  
   55    56    61  
   56  
    0  
   58    59    62    65    66    75    78    67    68    69    70    60    63  
   59    62    65    78    67    60  
   62    65    78    67    60  
   63    64    71    72    73    74    62  
    0  
   65    66    75    76    77    79    78    67    68    69    70  
   64    71    72    73    74  
   71    72    73    74  
   66    75    76    77    79    80    81    78    67    68    69    70  
   75    76    77    79    78    67  
   68    69    70    75    78  
   69    70    78  
   70    78  
   78  
   72    73    74  
   73    74  
   74  
    0  
   76    77    79    80    81    78  
   77    79    80    81    78  
   79    80    81    78  
   79  
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    61   320.000  1.410
   41    42   340.000  1.090
   41    49   317.000  1.510
   41    50   268.000  1.529
   49    52   320.000  1.462
   49    54   549.000  1.340
   52    53   570.000  1.229
   52    61   214.000  1.327
   54    55   340.000  1.080
   54    56   340.000  1.080
   50    51   340.000  1.090
   50    57   268.000  1.529
   50    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   275.000  1.510
   62    65   260.000  1.509
   62    78   335.000  1.432
   62    67   275.000  1.510
   65    66   340.000  1.088
   65    75   275.000  1.510
   65    78   335.000  1.432
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    40   268.000  1.529
   40    43   268.000  1.529
   40    47   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    61    50.00000  109.50000
   33    40    79    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    49    70.00000  112.02700
   38    41    50    58.35000  112.70000
   38    61    52    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    49    52    65.00000  116.34900
   41    49    54    70.00000  124.00000
   41    50    51    37.50000  110.70000
   41    50    57    58.35000  112.70000
   41    50    60    50.00000  109.50000
   49    41    42    35.00000  109.50000
   49    52    53    80.00000  123.72100
   49    52    61    90.00000  111.29400
   49    54    55    35.00000  120.00000
   49    54    56    35.00000  120.00000
   61    38    39    35.00000  109.50000
   61    38    41    50.00000  109.50000
   61    52    53    83.00000  123.40000
   54    49    52    65.00000  118.96000
   56    54    55    35.00000  117.00000
   50    41    42    37.50000  110.70000
   50    41    49    70.00000  112.02700
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    62    70.00000  112.37300
   50    60    63    83.00000  116.90000
   57    50    51    37.50000  110.70000
   57    62    65    60.00000  120.94000
   57    62    78    80.00000  116.47100
   57    62    67    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    45.00000  109.38400
   62    57    59    45.00000  109.38400
   62    65    66    37.50000  117.20000
   62    65    75    60.00000  120.94000
   62    65    78    15.00000   60.43100
   62    78    65    15.00000   59.14900
   62    67    68    45.00000  109.38400
   62    67    69    45.00000  109.38400
   62    67    70    45.00000  109.38400
   65    75    76    45.00000  109.38400
   65    75    77    45.00000  109.38400
   65    75    79    70.00000  112.37300
   75    65    66    40.00000  115.04500
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    40    58.35000  112.70000
   77    75    76    33.00000  107.80000
   79    75    76    37.50000  110.70000
   79    75    77    37.50000  110.70000
   79    40    43    58.35000  112.70000
   79    40    47    50.00000  109.50000
   81    79    80    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    79    80    37.50000  110.70000
   40    79    81    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    50.00000  109.50000
   78    62    65    15.00000   60.43100
   78    65    66    50.00000  114.27700
   78    65    75    80.00000  116.47100
   67    62    65    60.00000  120.94000
   67    62    78    80.00000  116.47100
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   60    50    51    35.00000  109.50000
   60    50    57    50.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    71    81.00000  111.40000
   63    71    72    35.00000  109.50000
   63    71    73    35.00000  109.50000
   63    71    74    35.00000  109.50000
   71    63    64    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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   0.15000  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    38    61   0.56750  1.0 1.0
   29    33    38    61  -0.07550 -1.0 2.0
   29    33    38    61   0.20000  1.0 3.0
   29    33    40    79   0.44750  1.0 1.0
   29    33    40    79  -0.17800 -1.0 2.0
   29    33    40    79   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    49   0.34400  1.0 1.0
   33    38    41    49   0.09450 -1.0 2.0
   33    38    41    49   0.11100  1.0 3.0
   33    38    41    50   0.56750  1.0 1.0
   33    38    41    50  -0.07550 -1.0 2.0
   33    38    41    50   0.20000  1.0 3.0
   33    38    61    52  -0.25900  1.0 1.0
   33    38    61    52  -0.47000 -1.0 2.0
   33    38    61    52   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    61   0.23400  1.0 3.0
   34    33    40    79   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    79   0.56750  1.0 1.0
   38    33    40    79  -0.07550 -1.0 2.0
   38    33    40    79   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    47   0.86500  1.0 1.0
   38    33    40    47  -0.17500 -1.0 2.0
   38    33    40    47   0.20800  1.0 3.0
   38    41   -49    52   0.09700  1.0 1.0
   38    41   -49    52   0.15600 -1.0 2.0
   38    41   -49    52  -0.50800  1.0 3.0
   38    41    49    54   0.09850  1.0 1.0
   38    41    49    54   0.15250 -1.0 2.0
   38    41    49    54  -0.50650  1.0 3.0
   38    41    50    51   0.15000  1.0 3.0
   38    41    50    57   0.56750  1.0 1.0
   38    41    50    57  -0.07550 -1.0 2.0
   38    41    50    57   0.20000  1.0 3.0
   38    41    50    60   0.62750  1.0 1.0
   38    41    50    60  -0.30950 -1.0 2.0
   38    41    50    60   0.27300  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    41    50   0.15000  1.0 3.0
   39    38    61    52   0.08050  1.0 3.0
   41    38   -61    52  -0.25900  1.0 1.0
   41    38   -61    52  -0.47000 -1.0 2.0
   41    38   -61    52   0.11750  1.0 3.0
   41    49    52    53  -0.64400  1.0 1.0
   41    49    52    53   0.26850 -1.0 2.0
   41    49   -52    61  -0.15000  1.0 1.0
   41    49   -52    61   0.89550 -1.0 2.0
   41    49   -52    61  -0.06900  1.0 3.0
   41    49    54    55   7.00000 -1.0 2.0
   41    49    54    56   7.00000 -1.0 2.0
   41    50    57    58   0.15000  1.0 3.0
   41    50    57    59   0.15000  1.0 3.0
   41    50    57    62   0.47050  1.0 1.0
   41    50    57    62   0.03900 -1.0 2.0
   41    50    57    62   0.20100  1.0 3.0
   41    50    60    63  -0.25900  1.0 1.0
   41    50    60    63  -0.47000 -1.0 2.0
   41    50    60    63   0.11750  1.0 3.0
   42    41    49    52   0.15000  1.0 3.0
   42    41    49    54   0.00000  1.0 1.0
   42    41    50    51   0.15000  1.0 3.0
   42    41    50    57   0.15000  1.0 3.0
   42    41    50    60   0.23400  1.0 3.0
   49    41    50    51   0.15000  1.0 3.0
   49    41    50    57   0.34400  1.0 1.0
   49    41    50    57   0.09450 -1.0 2.0
   49    41    50    57   0.11100  1.0 3.0
   49    41    50    60   0.61850  1.0 1.0
   49    41    50    60  -0.22750 -1.0 2.0
   49    41    50    60   0.15300  1.0 3.0
   49    52   -61    38   2.00000 -1.0 2.0
   52    49    54    55   7.00000 -1.0 2.0
   52    49    54    56   7.00000 -1.0 2.0
   53    52    61    38   3.00000 -1.0 2.0
   61    38    41    42   0.23400  1.0 3.0
   61    38   -41    49   0.61850  1.0 1.0
   61    38   -41    49  -0.22750 -1.0 2.0
   61    38   -41    49   0.15300  1.0 3.0
   61    38    41    50   0.62750  1.0 1.0
   61    38    41    50  -0.30950 -1.0 2.0
   61    38    41    50   0.27300  1.0 3.0
   54    49    52    53   1.00000 -1.0 2.0
   54    49    52    61  -0.56150  1.0 1.0
   54    49    52    61   2.19150 -1.0 2.0
   50    41    49    52   0.09700  1.0 1.0
   50    41    49    52   0.15600 -1.0 2.0
   50    41    49    52  -0.50800  1.0 3.0
   50    41    49    54   0.09850  1.0 1.0
   50    41    49    54   0.15250 -1.0 2.0
   50    41    49    54  -0.50650  1.0 3.0
   50    57    62    65   0.07850  1.0 1.0
   50    57    62    65  -0.03950 -1.0 2.0
   50    57    62    65   0.67350  1.0 3.0
   50    57    62    78   0.02550  1.0 1.0
   50    57    62    78  -0.02600 -1.0 2.0
   50    57    62    78   1.20400  1.0 3.0
   50    57    62    67   0.56750  1.0 1.0
   50    57    62    67  -0.07550 -1.0 2.0
   50    57    62    67   0.20000  1.0 3.0
   50    60    63    64   3.00000 -1.0 2.0
   50    60    63    71   1.63150  1.0 1.0
   50    60    63    71   2.92000 -1.0 2.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    62   0.15000  1.0 3.0
   51    50    60    63   0.08050  1.0 3.0
   57    50    60    63  -0.25900  1.0 1.0
   57    50    60    63  -0.47000 -1.0 2.0
   57    50    60    63   0.11750  1.0 3.0
   57    62    65    66   0.15000  1.0 3.0
   57    62    65    75   0.56750  1.0 1.0
   57    62    65    75  -0.07550 -1.0 2.0
   57    62    65    75   0.20000  1.0 3.0
   57    62   -65    78   0.02550  1.0 1.0
   57    62   -65    78  -0.02600 -1.0 2.0
   57    62   -65    78   1.20400  1.0 3.0
   57    62   -78    65   0.06250  1.0 1.0
   57    62   -78    65  -0.01100 -1.0 2.0
   57    62   -78    65   0.28050  1.0 3.0
   57    62    67    68   0.15000  1.0 3.0
   57    62    67    69   0.15000  1.0 3.0
   57    62    67    70   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   58    57    62    78   0.23400  1.0 3.0
   58    57    62    67   0.15000  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
   59    57    62    78   0.23400  1.0 3.0
   59    57    62    67   0.15000  1.0 3.0
   62    65    75    76   0.15000  1.0 3.0
   62    65    75    77   0.15000  1.0 3.0
   62    65    75    79   0.07850  1.0 1.0
   62    65    75    79  -0.03950 -1.0 2.0
   62    65    75    79   0.67350  1.0 3.0
   65    62    67    68   0.15000  1.0 3.0
   65    62    67    69   0.15000  1.0 3.0
   65    62    67    70   0.15000  1.0 3.0
   65    75    79    80   0.15000  1.0 3.0
   65    75    79    81   0.15000  1.0 3.0
   65    75    79    40   0.47050  1.0 1.0
   65    75    79    40   0.03900 -1.0 2.0
   65    75    79    40   0.20100  1.0 3.0
   66    65    75    76   0.15000  1.0 3.0
   66    65    75    77   0.15000  1.0 3.0
   66    65    75    79   0.15000  1.0 3.0
   66    65   -78    62   0.36800  1.0 3.0
   75    65   -78    62   0.06250  1.0 1.0
   75    65   -78    62  -0.01100 -1.0 2.0
   75    65   -78    62   0.28050  1.0 3.0
   75    79    40    33   0.56750  1.0 1.0
   75    79    40    33  -0.07550 -1.0 2.0
   75    79    40    33   0.20000  1.0 3.0
   75    79    40    43   0.56750  1.0 1.0
   75    79    40    43  -0.07550 -1.0 2.0
   75    79    40    43   0.20000  1.0 3.0
   75    79    40    47   0.86500  1.0 1.0
   75    79    40    47  -0.17500 -1.0 2.0
   75    79    40    47   0.20800  1.0 3.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    81   0.15000  1.0 3.0
   76    75    79    40   0.15000  1.0 3.0
   77    75    79    80   0.15000  1.0 3.0
   77    75    79    81   0.15000  1.0 3.0
   77    75    79    40   0.15000  1.0 3.0
   79    40    43    44   0.15000  1.0 3.0
   79    40    43    45   0.15000  1.0 3.0
   79    40    43    46   0.15000  1.0 3.0
   79    40    47    48  -0.11600  1.0 1.0
   79    40    47    48  -0.09450 -1.0 2.0
   79    40    47    48   0.21250  1.0 3.0
   80    79    40    33   0.15000  1.0 3.0
   80    79    40    43   0.15000  1.0 3.0
   80    79    40    47   0.23400  1.0 3.0
   81    79    40    33   0.15000  1.0 3.0
   81    79    40    43   0.15000  1.0 3.0
   81    79    40    47   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.56750  1.0 1.0
   40    33    38    41  -0.07550 -1.0 2.0
   40    33    38    41   0.20000  1.0 3.0
   40    33    38    61   0.62750  1.0 1.0
   40    33    38    61  -0.30950 -1.0 2.0
   40    33    38    61   0.27300  1.0 3.0
   43    40    47    48  -0.11600  1.0 1.0
   43    40    47    48  -0.09450 -1.0 2.0
   43    40    47    48   0.21250  1.0 3.0
   47    40    43    44   0.23400  1.0 3.0
   47    40    43    45   0.23400  1.0 3.0
   47    40    43    46   0.23400  1.0 3.0
   78    62   -65    66   0.23400  1.0 3.0
   78    62   -65    75   0.02550  1.0 1.0
   78    62   -65    75  -0.02600 -1.0 2.0
   78    62   -65    75   1.20400  1.0 3.0
   78    62    67    68   0.23400  1.0 3.0
   78    62    67    69   0.23400  1.0 3.0
   78    62    67    70   0.23400  1.0 3.0
   78    65    75    76   0.23400  1.0 3.0
   78    65    75    77   0.23400  1.0 3.0
   78    65    75    79   0.02550  1.0 1.0
   78    65    75    79  -0.02600 -1.0 2.0
   78    65    75    79   1.20400  1.0 3.0
   67    62    65    66   0.15000  1.0 3.0
   67    62    65    75   0.56750  1.0 1.0
   67    62    65    75  -0.07550 -1.0 2.0
   67    62    65    75   0.20000  1.0 3.0
   67    62   -65    78   0.02550  1.0 1.0
   67    62   -65    78  -0.02600 -1.0 2.0
   67    62   -65    78   1.20400  1.0 3.0
   67    62   -78    65   0.06250  1.0 1.0
   67    62   -78    65  -0.01100 -1.0 2.0
   67    62   -78    65   0.28050  1.0 3.0
   60    50    57    58   0.23400  1.0 3.0
   60    50    57    59   0.23400  1.0 3.0
   60    50    57    62  -0.26800  1.0 1.0
   60    50    57    62   0.69150 -1.0 2.0
   60    50    57    62  -0.48750  1.0 3.0
   60    63    71    72   0.00000  1.0 1.0
   60    63    71    73   0.00000  1.0 1.0
   60    63    71    74   0.00000  1.0 1.0
   64    63    71    72   0.00000  1.0 1.0
   64    63    71    73   0.00000  1.0 1.0
   64    63    71    74   0.00000  1.0 1.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   41    52    49    54   1.10000 -1.0 2.0
   49    61    52    53  10.50000 -1.0 2.0
   55    56    54    49   1.10000 -1.0 2.0
   60    71    63    64  10.50000 -1.0 2.0
END
