* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    160    252     475
    1     0 S   NP   _N1_     1    28.53716    99.25851   -20.69276
    2     1 S   H    _HN1     2     1.02951    63.46803     8.42313
    3     1 S   H    _H1_     3     1.02846    53.38895   149.89597
    4     1 S   H    _H2_     4     1.02787    93.33058  -100.32146
    5     1 S   CT   _CA1     5     1.50155   154.00561    90.95604
    6     5 S   HC   _HA1     6     1.09599   105.15082   106.92002
    7     5 S   CO3  _C1_     7     1.53758   111.93117   -12.83727
    8     7 S   O2Z  _O11     8     1.26321   115.09335   -55.28132
    9     7 S   O2Z  _O12     9     1.26228   114.82815   123.32323
   10     5 S   CT   _CB1    10     1.53096   107.31832  -135.71521
   11    10 S   HC   HB11    11     1.09831   109.10635   -52.37653
   12    10 S   HC   HB12    12     1.09804   110.62541    64.09015
   13    10 S   CT   _CG1    13     1.53002   112.66238  -173.46019
   14    13 S   HC   HG11    14     1.09545   110.43869   -66.73660
   15    13 S   HC   HG12    15     1.09662   109.95586    52.41980
   16    13 S   C    _CD1    16     1.51890   112.26121   172.67622
   17    16 S   O    _OE1    17     1.22758   123.28926     0.74046
   18    16 S   N    _N2_    18     1.38531   111.76345  -178.92280
   19    18 S   H    _HN2    19     1.01566   118.93887     3.44242
   20    18 S   CT1  _CA2    20     1.45943   122.91814   176.41351
   21    20 S   HC   _HA2    21     1.09721   109.06325    23.94958
   22    20 S   C    _C2_    22     1.52917   106.95492   -93.07045
   23    22 S   O    _O2_    23     1.22970   123.07967   -26.30144
   24    20 S   CT   _CB2    32     1.53085   111.90906   147.41224
   25    24 S   HC   HB21    33     1.09401   109.58893    52.16382
   26    24 S   HC   HB22    34     1.09514   110.90766   170.73185
   27    22 S   N    _N3_    24     1.38492   112.50715   156.49074
   28    27 S   H    _HN3    25     1.01657   120.34454    -2.27778
   29    24 S   S    _SG2    35     1.82423   110.89922   -69.71059
   30    27 S   CT   _CA3    26     1.45359   122.53057   178.55829
   31    30 S   HC   HA31    27     1.09565   107.87774   -54.58563
   32    30 S   HC   HA32    28     1.09560   107.56181    61.77203
   33    29 S   CT   _C23    36     1.84776    99.82775   158.22281
   34    33 S   HC   _H4_    37     1.09763   108.23996    31.75578
   35    30 S   CO3  _C3_    29     1.52899   114.27390  -176.49826
   36    35 S   O2Z  _O31    30     1.26343   116.03453     0.91343
   37    35 S   O2Z  _O32    31     1.26429   114.42150  -179.15327
   38    33 S   CM   _C11    38     1.51032   109.43045   -87.28892
   39    33 S   CM   _C7_    51     1.50988   108.68125   149.50004
   40    38 S   CM   _C12    39     1.34165   119.91764    98.13047
   41    40 S   HC   _H12    40     1.08323   123.32001     5.64705
   42    39 S   CT   _C5_    52     1.53772   113.70415   -88.03295
   43    42 S   HC   _H8_    53     1.09908   107.42827    19.12935
   44    40 S   CO4  _C13    41     1.47521   118.96398  -165.91430
   45    44 S   O    _O33    42     1.22461   119.35288  -158.90896
   46    42 S   CT   _C4_    54     1.53293   115.05977   135.24733
   47    46 S   HC   _H5_    55     1.09392   112.60107    75.41373
   48    46 S   HC   _H6_    56     1.09531   111.15288   -46.65806
   49    46 S   HC   _H7_    57     1.09613   109.99934  -165.61810
   50    42 S   CT   _C6_    58     1.53077   111.38780   -97.23309
   51    50 S   HC   _H9_    59     1.09497   111.86289   -66.98554
   52    50 S   HC   _H10    60     1.09550   110.52132   173.09255
   53    50 S   HC   _H11    61     1.09557   111.07684    53.70011
   54    44 S   CT   _C14    43     1.52459   114.45759    27.01223
   55    54 S   HC   _H3_    44     1.10539   102.51673    56.10209
   56    54 S   CT   _C15    45     1.56726   109.82104   -55.05859
   57    38 S   CM   _C10    46     1.46988   116.30381   -80.71359
   58    56 S   CT   _C16    62     1.56420   107.44907   166.73109
   59    58 S   HC   _H13    63     1.09801   110.61968   -98.65989
   60    58 S   HC   _H14    64     1.09781   109.65115   144.51439
   61    56 S   CT   _C22    80     1.55233   110.19435   -73.51042
   62    61 S   HC   _H25    81     1.09126   112.52588   -67.04467
   63    61 S   HC   _H26    82     1.09480   112.50622   174.38902
   64    61 S   HC   _H27    83     1.09591   111.45071    54.46747
   65    57 S   CMA  _C9_    47     1.37391   119.57285   -23.79671
   66    65 S   OM   _O34    48     1.27117   128.14230   173.19623
   67    58 S   CT   _C17    65     1.53212   115.82012    22.37608
   68    67 S   HC   _H15    66     1.09645   109.15938   156.61885
   69    67 S   HC   _H16    67     1.09597   109.29238   -87.85271
   70    65 S   CMA  _C8_    49     1.54666   118.90238    -8.71663
   71    70 S   OM   _O35    50     1.26995   114.15034  -153.32399
   72    67 S   CT   _C18    68     1.51966   112.69079    34.25074
   73    72 S   HC   _H17    69     1.09643   108.46697    60.82522
   74    72 S   HC   _H18    70     1.09747   109.20063   175.02240
   75    54 S   CT   _C19    71     1.57107   116.57076   169.63354
   76    75 S   CT   _C20    72     1.55137   108.03744   -77.12219
   77    76 S   HC   _H19    73     1.09550   111.33733    60.27226
   78    76 S   HC   _H20    74     1.09523   111.56706   -59.93866
   79    76 S   HC   _H21    75     1.09620   111.23016  -179.88465
   80    75 S   CT   _C21    76     1.54400   115.75581    42.12855
   81    80 S   HC   _H22    77     1.09411   112.34662   -74.04684
   82    80 S   HC   _H23    78     1.09716   110.56998   167.85382
   83    80 S   HC   _H24    79     1.09131   112.76155    47.84328
  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   8   5   4   3
  15   6   2   1   1  14  16   9   4  12   9  11   4   8   3   2
   1   4   2   1   1  24   8  18  13  14   6   5   6   2   1   1
   3   2   8   5   4   1   1  11   4   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    57    70    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    44    56    57    65    70    71    39    42    43    46    50  
   38    40    57    70    39    42  
   36    37  
   37  
    0  
   40    41    44    45    54    56    57    65    66    70    39    42    58    61  
   42    43    46    47    48    49    50    51    52    53    40    57    65    66    70    71  
   41    44    45    54    55    56    57    65    75  
   44    45    54    57  
   43    46    47    48    49    50    51    52    53    65    70    71  
   46    47    48    49    50    51    52    53    70  
   45    54    55    56    57    58    72    75    76    80    61  
   54    55    56    75  
   47    48    49    50    51    52    53    70  
   48    49    50  
   49    50  
   50  
   51    52    53    70  
   52    53  
   53  
    0  
   55    56    57    65    58    59    60    67    72    73    74    75    76    77    78    79    80    81    82    83    61    62    63    64  
   56    57    58    72    75    76    80    61  
   57    65    66    70    58    59    60    67    68    69    72    75    76    80    61    62    63    64  
   65    66    70    71    58    59    60    67    75    61    62    63    64  
   59    60    67    68    69    72    73    74    75    61    62    63    64    65  
   60    67    68    69    72    61  
   67    68    69    72    61  
   62    63    64    65    67    75  
   63    64  
   64  
    0  
   66    70    71  
   70    71  
   68    69    72    73    74    75    76    80  
   69    72    73    74    75  
   72    73    74    75  
   71  
    0  
   73    74    75    76    77    78    79    80    81    82    83  
   74    75    76    80  
   75    76    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   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   0.107500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   71   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    40   549.000  1.340
   38    57   380.000  1.444
   40    41   340.000  1.080
   40    44   320.000  1.462
   44    45   570.000  1.229
   44    54   317.000  1.522
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    75   268.000  1.529
   56    57   317.000  1.510
   56    58   268.000  1.529
   56    61   268.000  1.529
   57    65   465.000  1.376
   65    66   745.000  1.250
   65    70   465.000  1.376
   70    71   745.000  1.250
   70    39   465.000  1.376
   39    42   317.000  1.510
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    50   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   268.000  1.529
   75    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   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  112.20000
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  124.00000
   33    38    57    70.00000  124.00000
   33    39    70    70.00000  124.00000
   33    39    42    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    44    65.00000  118.96000
   38    57    56    70.00000  124.00000
   38    57    65    70.00000  117.34000
   40    44    45    80.00000  123.72100
   40    44    54    65.00000  118.62400
   44    40    41    40.00000  117.72500
   44    54    55    35.00000  109.50000
   44    54    56    63.00000  111.10000
   44    54    75    63.00000  111.10000
   54    44    45    80.00000  120.40000
   54    56    57    70.00000  112.02700
   54    56    58    58.35000  112.70000
   54    56    61    58.35000  112.70000
   54    75    72    58.35000  112.70000
   54    75    76    58.35000  112.70000
   54    75    80    58.35000  112.70000
   56    54    55    37.50000  110.70000
   56    57    65    70.00000  124.00000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    67    58.35000  112.70000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    64    37.50000  110.70000
   57    38    40    70.00000  123.01800
   57    65    66    65.00000  137.10300
   57    65    70    70.00000  117.34000
   65    70    71    65.00000  137.10300
   65    70    39    70.00000  117.34000
   70    65    66    65.00000  137.10300
   70    39    42    70.00000  124.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    70    71    65.00000  137.10300
   39    42    43    35.00000  109.50000
   39    42    46    70.00000  112.02700
   39    42    50    70.00000  112.02700
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   42    50    51    37.50000  110.70000
   42    50    52    37.50000  110.70000
   42    50    53    37.50000  110.70000
   46    42    43    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   50    42    43    37.50000  110.70000
   50    42    46    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   58    56    57    70.00000  112.02700
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    72    58.35000  112.70000
   60    58    59    33.00000  107.80000
   67    58    59    37.50000  110.70000
   67    58    60    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    75    76    58.35000  112.70000
   72    75    80    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    54    55    37.50000  110.70000
   75    54    56    58.35000  112.70000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    76    77    37.50000  110.70000
   75    76    78    37.50000  110.70000
   75    76    79    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    75    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   61    56    57    70.00000  112.02700
   61    56    58    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    57   0.42700  1.0 1.0
   29    33    38    57  -0.70350 -1.0 2.0
   29    33    38    57  -0.43150  1.0 3.0
   29    33    39    70   0.42700  1.0 1.0
   29    33    39    70  -0.70350 -1.0 2.0
   29    33    39    70  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    38    57    56   0.35650  1.0 1.0
   33    38    57    56   0.31450 -1.0 2.0
   33    38    57    65  -0.18600  1.0 3.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    46   0.46850  1.0 1.0
   33    39    42    46   0.08550 -1.0 2.0
   33    39    42    46   0.09800  1.0 3.0
   33    39    42    50   0.46850  1.0 1.0
   33    39    42    50   0.08550 -1.0 2.0
   33    39    42    50   0.09800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    70   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   38    33    39    70  -0.28300  1.0 1.0
   38    33    39    70   0.26700 -1.0 2.0
   38    33    39    70  -0.63300  1.0 3.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    40    44    45   1.00000 -1.0 2.0
   38    40    44    54  -0.33500  1.0 1.0
   38    40    44    54   1.06600 -1.0 2.0
   38    40    44    54  -0.14000  1.0 3.0
   38    57    65    66   7.00000 -1.0 2.0
   38    57   -65    70   7.00000 -1.0 2.0
   40    38    57    56  -0.18600  1.0 3.0
   40    38    57    65   0.28850  1.0 1.0
   40    38    57    65   2.61350 -1.0 2.0
   40    38    57    65   0.78400  1.0 3.0
   40    44    54    55   0.00000  1.0 1.0
   40    44   -54    56   0.65300  1.0 1.0
   40    44   -54    56  -0.03850 -1.0 2.0
   40    44   -54    56   0.33900  1.0 3.0
   40    44    54    75   0.65300  1.0 1.0
   40    44    54    75  -0.03850 -1.0 2.0
   40    44    54    75   0.33900  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    54   0.04550  1.0 1.0
   41    40    44    54   0.83000 -1.0 2.0
   41    40    44    54  -0.04000  1.0 3.0
   44    54    56    57  -0.98800  1.0 1.0
   44    54    56    57   0.48800 -1.0 2.0
   44    54    56    57   0.76800  1.0 3.0
   44    54    56    58  -0.95700  1.0 1.0
   44    54    56    58  -0.18200 -1.0 2.0
   44    54    56    58   0.29450  1.0 3.0
   44    54    56    61  -0.95700  1.0 1.0
   44    54    56    61  -0.18200 -1.0 2.0
   44    54    56    61   0.29450  1.0 3.0
   44    54    75    72  -0.95700  1.0 1.0
   44    54    75    72  -0.18200 -1.0 2.0
   44    54    75    72   0.29450  1.0 3.0
   44    54    75    76  -0.95700  1.0 1.0
   44    54    75    76  -0.18200 -1.0 2.0
   44    54    75    76   0.29450  1.0 3.0
   44    54    75    80  -0.95700  1.0 1.0
   44    54    75    80  -0.18200 -1.0 2.0
   44    54    75    80   0.29450  1.0 3.0
   45    44    54    55   0.00000  1.0 1.0
   45    44    54    56   0.30150 -1.0 2.0
   45    44    54    75   0.30150 -1.0 2.0
   54    56   -57    38   0.98200  1.0 1.0
   54    56   -57    38  -0.11900 -1.0 2.0
   54    56   -57    38   0.24250  1.0 3.0
   54    56    57    65   0.09850  1.0 1.0
   54    56    57    65   0.15250 -1.0 2.0
   54    56    57    65  -0.50650  1.0 3.0
   54    56    58    59   0.15000  1.0 3.0
   54    56    58    60   0.15000  1.0 3.0
   54    56    58    67   0.56750  1.0 1.0
   54    56    58    67  -0.07550 -1.0 2.0
   54    56    58    67   0.20000  1.0 3.0
   54    56    61    62   0.15000  1.0 3.0
   54    56    61    63   0.15000  1.0 3.0
   54    56    61    64   0.15000  1.0 3.0
   54    75    76    77   0.15000  1.0 3.0
   54    75    76    78   0.15000  1.0 3.0
   54    75    76    79   0.15000  1.0 3.0
   54    75    80    81   0.15000  1.0 3.0
   54    75    80    82   0.15000  1.0 3.0
   54    75    80    83   0.15000  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    61   0.15000  1.0 3.0
   55    54    75    72   0.15000  1.0 3.0
   55    54    75    76   0.15000  1.0 3.0
   55    54    75    80   0.15000  1.0 3.0
   56    54    75    72   0.56750  1.0 1.0
   56    54    75    72  -0.07550 -1.0 2.0
   56    54    75    72   0.20000  1.0 3.0
   56    54    75    76   0.56750  1.0 1.0
   56    54    75    76  -0.07550 -1.0 2.0
   56    54    75    76   0.20000  1.0 3.0
   56    54    75    80   0.56750  1.0 1.0
   56    54    75    80  -0.07550 -1.0 2.0
   56    54    75    80   0.20000  1.0 3.0
   56    57    65    66   7.00000 -1.0 2.0
   56    57    65    70   7.00000 -1.0 2.0
   56    58    67    68   0.15000  1.0 3.0
   56    58    67    69   0.15000  1.0 3.0
   56    58   -67    72   0.56750  1.0 1.0
   56    58   -67    72  -0.07550 -1.0 2.0
   56    58   -67    72   0.20000  1.0 3.0
   57    38    40    41   7.00000 -1.0 2.0
   57    38   -40    44   7.00000 -1.0 2.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    67   0.34400  1.0 1.0
   57    56    58    67   0.09450 -1.0 2.0
   57    56    58    67   0.11100  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    64   0.15000  1.0 3.0
   57    65    70    71   7.00000 -1.0 2.0
   57    65    70    39   7.00000 -1.0 2.0
   65    70   -39    33   7.00000 -1.0 2.0
   65    70    39    42   7.00000 -1.0 2.0
   66    65    70    71   7.00000 -1.0 2.0
   66    65    70    39   7.00000 -1.0 2.0
   70    39    42    43   0.00000  1.0 1.0
   70    39    42    46   0.09850  1.0 1.0
   70    39    42    46   0.15250 -1.0 2.0
   70    39    42    46  -0.50650  1.0 3.0
   70    39    42    50   0.09850  1.0 1.0
   70    39    42    50   0.15250 -1.0 2.0
   70    39    42    50  -0.50650  1.0 3.0
   71    70    39    33   7.00000 -1.0 2.0
   71    70    39    42   7.00000 -1.0 2.0
   39    33    38    40  -0.28300  1.0 1.0
   39    33    38    40   0.26700 -1.0 2.0
   39    33    38    40  -0.63300  1.0 3.0
   39    33   -38    57  -0.28300  1.0 1.0
   39    33   -38    57   0.26700 -1.0 2.0
   39    33   -38    57  -0.63300  1.0 3.0
   39    42    46    47   0.15000  1.0 3.0
   39    42    46    48   0.15000  1.0 3.0
   39    42    46    49   0.15000  1.0 3.0
   39    42    50    51   0.15000  1.0 3.0
   39    42    50    52   0.15000  1.0 3.0
   39    42    50    53   0.15000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    52   0.15000  1.0 3.0
   43    42    50    53   0.15000  1.0 3.0
   46    42    50    51   0.15000  1.0 3.0
   46    42    50    52   0.15000  1.0 3.0
   46    42    50    53   0.15000  1.0 3.0
   50    42    46    47   0.15000  1.0 3.0
   50    42    46    48   0.15000  1.0 3.0
   50    42    46    49   0.15000  1.0 3.0
   58    56    57    38   0.98200  1.0 1.0
   58    56    57    38  -0.11900 -1.0 2.0
   58    56    57    38   0.24250  1.0 3.0
   58    56    57    65   0.09850  1.0 1.0
   58    56    57    65   0.15250 -1.0 2.0
   58    56    57    65  -0.50650  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    64   0.15000  1.0 3.0
   58    67    72    73   0.15000  1.0 3.0
   58    67    72    74   0.15000  1.0 3.0
   58    67    72    75   0.56750  1.0 1.0
   58    67    72    75  -0.07550 -1.0 2.0
   58    67    72    75   0.20000  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    72   0.15000  1.0 3.0
   60    58    67    68   0.15000  1.0 3.0
   60    58    67    69   0.15000  1.0 3.0
   60    58    67    72   0.15000  1.0 3.0
   67    72   -75    54   0.56750  1.0 1.0
   67    72   -75    54  -0.07550 -1.0 2.0
   67    72   -75    54   0.20000  1.0 3.0
   67    72    75    76   0.56750  1.0 1.0
   67    72    75    76  -0.07550 -1.0 2.0
   67    72    75    76   0.20000  1.0 3.0
   67    72    75    80   0.56750  1.0 1.0
   67    72    75    80  -0.07550 -1.0 2.0
   67    72    75    80   0.20000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    75   0.15000  1.0 3.0
   72    75    76    77   0.15000  1.0 3.0
   72    75    76    78   0.15000  1.0 3.0
   72    75    76    79   0.15000  1.0 3.0
   72    75    80    81   0.15000  1.0 3.0
   72    75    80    82   0.15000  1.0 3.0
   72    75    80    83   0.15000  1.0 3.0
   73    72    75    54   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    80   0.15000  1.0 3.0
   74    72    75    54   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    80   0.15000  1.0 3.0
   75    54    56    57   0.34400  1.0 1.0
   75    54    56    57   0.09450 -1.0 2.0
   75    54    56    57   0.11100  1.0 3.0
   75    54   -56    58   0.56750  1.0 1.0
   75    54   -56    58  -0.07550 -1.0 2.0
   75    54   -56    58   0.20000  1.0 3.0
   75    54    56    61   0.56750  1.0 1.0
   75    54    56    61  -0.07550 -1.0 2.0
   75    54    56    61   0.20000  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.15000  1.0 3.0
   80    75    76    77   0.15000  1.0 3.0
   80    75    76    78   0.15000  1.0 3.0
   80    75    76    79   0.15000  1.0 3.0
   61    56    57    38   0.98200  1.0 1.0
   61    56    57    38  -0.11900 -1.0 2.0
   61    56    57    38   0.24250  1.0 3.0
   61    56    57    65   0.09850  1.0 1.0
   61    56    57    65   0.15250 -1.0 2.0
   61    56    57    65  -0.50650  1.0 3.0
   61    56    58    59   0.15000  1.0 3.0
   61    56    58    60   0.15000  1.0 3.0
   61    56    58    67   0.56750  1.0 1.0
   61    56    58    67  -0.07550 -1.0 2.0
   61    56    58    67   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    57    38    40   1.10000 -1.0 2.0
   44    41    40    38   1.10000 -1.0 2.0
   40    54    44    45  10.50000 -1.0 2.0
   38    56    57    65   1.10000 -1.0 2.0
   70    66    65    57   1.10000 -1.0 2.0
   65    71    70    39   1.10000 -1.0 2.0
   33    42    39    70   1.10000 -1.0 2.0
END
