* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    152    252     457
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02036    97.52106    26.48369
    3     1 S   H    _H1_     3     1.02075    35.21616   138.42371
    4     1 S   H    _H2_     4     1.02148    81.72869   -81.49081
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.85612    97.06333   161.84989
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C19    37     1.52041   106.88034  -159.97328
   38    33 S   CT   _C17    69     1.54557   112.61756    76.84248
   39    38 S   HC   _H4_    70     1.09686   109.21314  -160.41402
   40    33 S   OH   _O37    82     1.43171   109.96201   -42.63794
   41    40 S   HO   _H16    83     0.96795   106.22392   -56.43633
   42    37 S   CMA  _C20    38     1.35973   126.26692  -110.19472
   43    42 S   OM   _O35    39     1.26770   129.95568   177.32504
   44    38 S   NP   _N5_    71     1.49146   110.56161   -46.78831
   45    44 S   H    _H17    72     1.02287   110.50927   -42.28056
   46    44 S   H    _H18    73     1.02226   110.53137  -162.24285
   47    44 S   H    _H19    74     1.02282   110.56456    77.66891
   48    37 S   C    _C23    77     1.48643   116.14128    69.81618
   49    48 S   O    _O36    78     1.21841   120.88051   -90.03142
   50    42 S   CT   _C21    40     1.55892   118.65533    -2.31148
   51    48 S   N    _N4_    79     1.36681   112.62191    89.97867
   52    51 S   H    _H14    80     1.01416   118.30714    -0.03956
   53    51 S   H    _H15    81     1.01503   123.37365  -180.00000
   54    50 S   CO4  _C22    41     1.54993   110.22997  -102.82460
   55    54 S   O    _O33    42     1.22928   122.71277   -26.81848
   56    50 S   OH   _O34    75     1.43658   111.40905   141.25819
   57    56 S   HO   _H13    76     0.96655   105.91347    59.23196
   58    54 S   CA   _C13    43     1.48984   118.92684   155.48094
   59    58 S   CA   _C14    44     1.39711   120.60695    -3.44537
   60    58 S   CA   _C12    55     1.40267   119.26591   177.29919
   61    59 S   CA   _C5_    45     1.40345   119.12261   179.43698
   62    60 S   OH   _O38    56     1.36764   119.74399    -0.28046
   63    62 S   HO   _H20    57     0.96786   109.90486     0.19979
   64    59 S   CT   _C15    64     1.50058   121.53994     1.97298
   65    64 S   HC   _H11    65     1.09778   107.63924    93.19859
   66    64 S   HC   _H12    66     1.09452   111.82048  -150.92262
   67    61 S   CA   _C6_    46     1.40396   121.39884     1.21740
   68    61 S   CT   _C4_    60     1.50373   119.08499  -178.13491
   69    68 S   HC   _H5_    61     1.09238   109.78907   -90.55986
   70    68 S   HC   _H6_    62     1.09326   110.69555    29.90787
   71    68 S   HC   _H7_    63     1.09362   110.68119   148.89494
   72    50 S   CT   _C16    67     1.55035   113.05084    21.27457
   73    72 S   HC   _H3_    68     1.10002   108.24154    67.57057
   74    67 S   CA   _C7_    47     1.40440   121.47279   179.54716
   75    74 S   HA   _H8_    48     1.08786   121.68333     0.02798
   76    74 S   CA   _C8_    49     1.39524   120.71110  -179.91153
   77    76 S   HA   _H9_    50     1.08583   119.96430  -180.00000
   78    76 S   CA   _C9_    51     1.39122   119.95263    -0.07662
   79    78 S   HA   _H10    52     1.08760   119.46785   179.94405
   80    78 S   CA   _C10    53     1.39438   120.05390     0.00000
   81    67 S   CA   _C11    54     1.41181   119.16269    -0.47064
   82    80 S   OH   _O39    58     1.36633   116.12180   179.95154
   83    82 S   HO   _H21    59     0.96904   109.92131    -0.02798
  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
  18   2   1   1  16  18   9   5   1  13   5   7   3   2   1   5
   3  12   2   1   1  12   5   5   1  13  15  10  14   4   1   6
   3   2  12   5   2   1   1   1   1   7   4   6   3   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    72    38    39    44    48    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    50    64    72    73    38    39    44    45    46    47    48    49    51    40    41  
   35    36  
   36  
    0  
   42    43    50    54    72    38    39    44    56    48    49    51    52    53    40    41  
   39    44    45    46    47    56    48    40    41    42    50    54    59    64    65    66    72    73  
   44    45    46    47    40    50    64    72    73  
   41    42    44    48    72  
    0  
   43    50    54    55    58    64    72    73    56    57    48    49    51  
   50    54    72    56    48  
   45    46    47    50    64    72    73  
   46    47    72  
   47    72  
   72  
   49    51    52    53    50  
   51    52    53  
   54    55    58    59    60    64    65    66    72    73    56    57  
   52    53  
   53  
    0  
   55    58    59    61    81    60    62    64    72    73    56    57  
   58    59    60    72    56  
   57    58    64    72    73  
   72  
   59    61    67    80    81    60    62    63    68    64    65    66    72  
   61    67    74    81    60    62    68    69    70    71    64    65    66    72    73  
   62    63    82    64    61    67    74    78    80    81  
   67    74    75    76    80    81    68    69    70    71    64    65    66    72  
   63    67    80    81  
   81  
   65    66    72    73    67    68  
   66    72    73  
   72    73  
   74    75    76    77    78    80    81    82    68    69    70    71  
   69    70    71    74    81  
   70    71  
   71  
    0  
   73  
    0  
   75    76    77    78    79    80    81  
   76    77    78    81  
   77    78    79    80    81    82  
   78    79    80  
   79    80    81    82    83  
   80    81    82  
   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  -0.335000   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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   1.6450   1.4500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    38   268.000  1.529
   33    40   320.000  1.410
   37    42   465.000  1.376
   37    48   410.000  1.444
   42    43   745.000  1.250
   42    50   270.000  1.512
   50    54   317.000  1.522
   50    72   268.000  1.529
   50    56   320.000  1.410
   54    55   570.000  1.229
   54    58   310.000  1.470
   58    59   469.000  1.400
   58    60   469.000  1.400
   59    61   469.000  1.400
   59    64   317.000  1.510
   61    67   469.000  1.400
   61    68   317.000  1.510
   67    74   469.000  1.400
   67    81   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   469.000  1.400
   80    82   450.000  1.364
   81    60   469.000  1.400
   60    62   450.000  1.364
   62    63   553.000  0.945
   82    83   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    38   268.000  1.529
   38    39   340.000  1.090
   38    44   367.000  1.471
   44    45   434.000  1.010
   44    46   434.000  1.010
   44    47   434.000  1.010
   56    57   553.000  0.945
   48    49   570.000  1.229
   48    51   490.000  1.335
   51    52   434.000  1.010
   51    53   434.000  1.010
   40    41   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    48    70.00000  119.70000
   33    38    72    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    44    80.00000  111.20000
   33    40    41    55.00000  108.50000
   37    42    43    65.00000  137.10300
   37    42    50    65.00000  122.18000
   37    48    49    80.00000  125.30000
   37    48    51    80.00000  111.56200
   42    50    54    70.00000  109.06800
   42    50    72    70.00000  112.02700
   42    50    56    90.00000  110.39200
   50    42    43    85.00000  112.85300
   50    54    55    80.00000  120.40000
   50    54    58    65.00000  115.47100
   50    72    64    58.35000  112.70000
   50    72    73    37.50000  110.70000
   50    72    38    58.35000  112.70000
   50    56    57    55.00000  108.50000
   54    58    59    60.00000  119.52600
   54    58    60    60.00000  119.52600
   58    54    55    75.00000  123.78400
   58    59    61    63.00000  120.00000
   58    59    64    70.00000  120.00000
   58    60    81    63.00000  120.00000
   58    60    62    70.00000  120.00000
   59    61    67    63.00000  120.00000
   59    61    68    70.00000  120.00000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    72    70.00000  112.17500
   61    67    74    63.00000  120.00000
   61    67    81    63.00000  120.00000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   67    74    75    35.00000  120.00000
   67    74    76    63.00000  120.00000
   67    81    80    63.00000  120.00000
   67    81    60    63.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    63.00000  120.00000
   78    80    82    70.00000  120.00000
   80    78    79    35.00000  120.00000
   80    81    60    63.00000  120.00000
   80    82    83    35.00000  113.00000
   81    67    74    63.00000  120.00000
   81    60    62    70.00000  120.00000
   60    58    59    63.00000  120.00000
   60    62    63    35.00000  113.00000
   82    80    81    70.00000  120.00000
   68    61    67    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   64    59    61    70.00000  120.00000
   64    72    73    37.50000  110.70000
   64    72    38    58.35000  112.70000
   66    64    65    33.00000  107.80000
   72    50    54    63.00000  111.10000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    38    39    37.50000  110.70000
   72    38    44    80.00000  111.20000
   38    33    37    70.00000  112.02700
   38    72    73    37.50000  110.70000
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   44    38    39    35.00000  109.50000
   46    44    45    35.00000  109.50000
   47    44    45    35.00000  109.50000
   47    44    46    35.00000  109.50000
   56    50    54    90.00000  109.61100
   56    50    72    50.00000  109.50000
   48    37    42    60.00000  120.04000
   48    51    52    35.00000  119.80000
   48    51    53    35.00000  119.80000
   51    48    49    80.00000  122.90000
   53    51    52    35.00000  120.00000
   40    33    37    90.00000  110.39200
   40    33    38    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    48   0.09700  1.0 1.0
   29    33    37    48   0.15600 -1.0 2.0
   29    33    37    48  -0.50800  1.0 3.0
   29    33    38    72   0.44750  1.0 1.0
   29    33    38    72  -0.17800 -1.0 2.0
   29    33    38    72   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    50   7.00000 -1.0 2.0
   33    37    48    49  -0.64400  1.0 1.0
   33    37    48    49   0.26850 -1.0 2.0
   33    37    48    51   1.59650  1.0 1.0
   33    37    48    51   0.42750 -1.0 2.0
   33    37    48    51  -0.48350  1.0 3.0
   33    38    44    45   0.17350  1.0 3.0
   33    38    44    46   0.17350  1.0 3.0
   33    38    44    47   0.17350  1.0 3.0
   37    33    38    72   0.34400  1.0 1.0
   37    33    38    72   0.09450 -1.0 2.0
   37    33    38    72   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    44  -0.47300  1.0 1.0
   37    33    38    44   0.29700 -1.0 2.0
   37    33    38    44   0.83300  1.0 3.0
   37    33    40    41  -0.07800  1.0 1.0
   37    33    40    41  -0.21500 -1.0 2.0
   37    33    40    41  -0.03150  1.0 3.0
   37    42    50    54  -0.51250  1.0 1.0
   37    42    50    54  -0.88800 -1.0 2.0
   37    42    50    54   0.08850  1.0 3.0
   37    42   -50    72   0.09850  1.0 1.0
   37    42   -50    72   0.15250 -1.0 2.0
   37    42   -50    72  -0.50650  1.0 3.0
   37    42    50    56   0.67800  1.0 1.0
   37    42    50    56   0.47050 -1.0 2.0
   37    42    50    56  -0.62500  1.0 3.0
   37    48    51    52   2.56700 -1.0 2.0
   37    48    51    53   2.56700 -1.0 2.0
   42    37    48    49   1.00000 -1.0 2.0
   42    37    48    51   0.49500  1.0 1.0
   42    37    48    51   1.31600 -1.0 2.0
   42    37    48    51  -0.02300  1.0 3.0
   42    50    54    55   0.30150 -1.0 2.0
   42    50    54    58   0.65300  1.0 1.0
   42    50    54    58  -0.03850 -1.0 2.0
   42    50    54    58   0.33900  1.0 3.0
   42    50    72    64   0.34400  1.0 1.0
   42    50    72    64   0.09450 -1.0 2.0
   42    50    72    64   0.11100  1.0 3.0
   42    50    72    73   0.15000  1.0 3.0
   42    50    72    38   0.34400  1.0 1.0
   42    50    72    38   0.09450 -1.0 2.0
   42    50    72    38   0.11100  1.0 3.0
   42    50    56    57  -0.07800  1.0 1.0
   42    50    56    57  -0.21500 -1.0 2.0
   42    50    56    57  -0.03150  1.0 3.0
   43    42    50    54   0.09700  1.0 1.0
   43    42    50    54   0.15600 -1.0 2.0
   43    42    50    54  -0.50800  1.0 3.0
   43    42    50    72   0.09700  1.0 1.0
   43    42    50    72   0.15600 -1.0 2.0
   43    42    50    72  -0.50800  1.0 3.0
   43    42    50    56   0.09700  1.0 1.0
   43    42    50    56   0.15600 -1.0 2.0
   43    42    50    56  -0.50800  1.0 3.0
   50    54    58    59   2.26350  1.0 1.0
   50    54    58    59   0.76750 -1.0 2.0
   50    54    58    59   0.22500  1.0 3.0
   50    54    58    60   2.26350  1.0 1.0
   50    54    58    60   0.76750 -1.0 2.0
   50    54    58    60   0.22500  1.0 3.0
   50    72   -38    33   0.56750  1.0 1.0
   50    72   -38    33  -0.07550 -1.0 2.0
   50    72   -38    33   0.20000  1.0 3.0
   50    72    38    39   0.15000  1.0 3.0
   50    72    38    44   1.36600  1.0 1.0
   50    72    38    44  -0.11450 -1.0 2.0
   50    72    38    44   0.24250  1.0 3.0
   54    50    72    64  -0.95700  1.0 1.0
   54    50    72    64  -0.18200 -1.0 2.0
   54    50    72    64   0.29450  1.0 3.0
   54    50    72    73  -0.11250  1.0 3.0
   54    50    72    38  -0.95700  1.0 1.0
   54    50    72    38  -0.18200 -1.0 2.0
   54    50    72    38   0.29450  1.0 3.0
   54    50    56    57   0.91850  1.0 1.0
   54    50    56    57   0.57950  1.0 3.0
   54    58    59    61   3.62500 -1.0 2.0
   54    58   -59    64   3.62500 -1.0 2.0
   54    58    60    81   3.62500 -1.0 2.0
   54    58    60    62   3.62500 -1.0 2.0
   55    54    58    59   1.05000 -1.0 2.0
   55    54    58    60   1.05000 -1.0 2.0
   58    59    61    67   3.62500 -1.0 2.0
   58    59    61    68   3.62500 -1.0 2.0
   58    59    64    65   0.00000  1.0 1.0
   58    59    64    66   0.00000  1.0 1.0
   58    59    64    72   0.04150 -1.0 2.0
   58    60    62    63   0.84100 -1.0 2.0
   59    58    60    81   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   59    61    67    74   3.62500 -1.0 2.0
   59    61   -67    81   3.62500 -1.0 2.0
   59    61    68    69   0.00000  1.0 1.0
   59    61    68    70   0.00000  1.0 1.0
   59    61    68    71   0.00000  1.0 1.0
   59    64   -72    50  -0.03700  1.0 1.0
   59    64   -72    50   0.37200 -1.0 2.0
   59    64   -72    50  -0.47300  1.0 3.0
   59    64    72    73   0.43200  1.0 3.0
   59    64    72    38  -0.03700  1.0 1.0
   59    64    72    38   0.37200 -1.0 2.0
   59    64    72    38  -0.47300  1.0 3.0
   61    59    64    65   0.00000  1.0 1.0
   61    59    64    66   0.00000  1.0 1.0
   61    59    64    72   0.04150 -1.0 2.0
   61    67    74    75   3.62500 -1.0 2.0
   61    67    74    76   3.62500 -1.0 2.0
   61    67    81    80   3.62500 -1.0 2.0
   61    67    81    60   3.62500 -1.0 2.0
   67    61    68    69   0.00000  1.0 1.0
   67    61    68    70   0.00000  1.0 1.0
   67    61    68    71   0.00000  1.0 1.0
   67    74    76    77   3.62500 -1.0 2.0
   67    74    76    78   3.62500 -1.0 2.0
   67    81   -60    58   3.62500 -1.0 2.0
   67    81    60    62   3.62500 -1.0 2.0
   74    67    81    80   3.62500 -1.0 2.0
   74    67    81    60   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76   -78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   76    78    80    82   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   78    80   -81    67   3.62500 -1.0 2.0
   78    80    81    60   3.62500 -1.0 2.0
   78    80    82    83   0.84100 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    81    60    58   3.62500 -1.0 2.0
   80    81    60    62   3.62500 -1.0 2.0
   81    67    74    75   3.62500 -1.0 2.0
   81    67   -74    76   3.62500 -1.0 2.0
   81    80    82    83   0.84100 -1.0 2.0
   81    60    62    63   0.84100 -1.0 2.0
   60    58   -59    61   3.62500 -1.0 2.0
   60    58    59    64   3.62500 -1.0 2.0
   82    80    81    67   3.62500 -1.0 2.0
   82    80    81    60   3.62500 -1.0 2.0
   68    61    67    74   3.62500 -1.0 2.0
   68    61    67    81   3.62500 -1.0 2.0
   64    59    61    67   3.62500 -1.0 2.0
   64    59    61    68   3.62500 -1.0 2.0
   64    72    38    33   0.56750  1.0 1.0
   64    72    38    33  -0.07550 -1.0 2.0
   64    72    38    33   0.20000  1.0 3.0
   64    72    38    39   0.15000  1.0 3.0
   64    72    38    44   1.36600  1.0 1.0
   64    72    38    44  -0.11450 -1.0 2.0
   64    72    38    44   0.24250  1.0 3.0
   65    64    72    50   0.15000  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    38   0.15000  1.0 3.0
   66    64    72    50   0.15000  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    38   0.15000  1.0 3.0
   72    50    54    55   0.30150 -1.0 2.0
   72    50   -54    58   0.05850 -1.0 2.0
   72    50   -54    58   0.17250  1.0 3.0
   72    50    56    57  -0.11600  1.0 1.0
   72    50    56    57  -0.09450 -1.0 2.0
   72    50    56    57   0.21250  1.0 3.0
   72    38    44    45   0.17350  1.0 3.0
   72    38    44    46   0.17350  1.0 3.0
   72    38    44    47   0.17350  1.0 3.0
   73    72    38    33   0.15000  1.0 3.0
   73    72    38    39   0.15000  1.0 3.0
   73    72    38    44   0.19200  1.0 3.0
   38    33   -37    42   0.09850  1.0 1.0
   38    33   -37    42   0.15250 -1.0 2.0
   38    33   -37    42  -0.50650  1.0 3.0
   38    33    37    48   0.09700  1.0 1.0
   38    33    37    48   0.15600 -1.0 2.0
   38    33    37    48  -0.50800  1.0 3.0
   38    33    40    41  -0.11600  1.0 1.0
   38    33    40    41  -0.09450 -1.0 2.0
   38    33    40    41   0.21250  1.0 3.0
   39    38    44    45   0.13050  1.0 3.0
   39    38    44    46   0.13050  1.0 3.0
   39    38    44    47   0.13050  1.0 3.0
   56    50    54    55   0.30150 -1.0 2.0
   56    50    54    58   0.65300  1.0 1.0
   56    50    54    58  -0.03850 -1.0 2.0
   56    50    54    58   0.33900  1.0 3.0
   56    50    72    64   0.86500  1.0 1.0
   56    50    72    64  -0.17500 -1.0 2.0
   56    50    72    64   0.20800  1.0 3.0
   56    50    72    73   0.23400  1.0 3.0
   56    50    72    38   0.86500  1.0 1.0
   56    50    72    38  -0.17500 -1.0 2.0
   56    50    72    38   0.20800  1.0 3.0
   48    37    42    43   7.00000 -1.0 2.0
   48    37    42    50   7.00000 -1.0 2.0
   49    48    51    52   2.45000 -1.0 2.0
   49    48    51    53   2.45000 -1.0 2.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    48   0.09700  1.0 1.0
   40    33    37    48   0.15600 -1.0 2.0
   40    33    37    48  -0.50800  1.0 3.0
   40    33    38    72   0.86500  1.0 1.0
   40    33    38    72  -0.17500 -1.0 2.0
   40    33    38    72   0.20800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    44   1.69300  1.0 1.0
   40    33    38    44  -0.48450 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    48    37    42   1.10000 -1.0 2.0
   50    43    42    37   1.10000 -1.0 2.0
   50    58    54    55  10.50000 -1.0 2.0
   59    60    58    54   4.00000 -1.0 2.0
   61    64    59    58   4.00000 -1.0 2.0
   67    68    61    59   4.00000 -1.0 2.0
   74    81    67    61   4.00000 -1.0 2.0
   76    75    74    67   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   81    82    80    78   4.00000 -1.0 2.0
   80    60    81    67   4.00000 -1.0 2.0
   81    62    60    58   4.00000 -1.0 2.0
   37    51    48    49  10.50000 -1.0 2.0
   53    48    51    52   1.00000 -1.0 2.0
END
