* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    165    244     479
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02024   106.63080   -16.32640
    3     1 S   H    _H1_     3     1.02123    57.23411    85.56243
    4     1 S   H    _H2_     4     1.02128    54.88639  -117.78031
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C23    36     1.80840    98.55343  -178.18382
   34    33 S   HC   _H29    37     1.09419   109.15839   -59.11130
   35    33 S   HC   _H30    38     1.09400   109.28323    58.86886
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C22    39     1.48477   110.10544   179.97202
   40    39 S   CM   _C21    40     1.33523   128.59384   -89.59638
   41    40 S   OS   _O37    41     1.39512   115.10617   177.76069
   42    40 S   OH   _O38    89     1.36848   124.45104    -0.96510
   43    42 S   HO   _H31    90     0.96683   110.55013  -179.96044
   44    41 S   CT   _C11    42     1.45313   102.65808    16.29302
   45    44 S   HC   _H5_    43     1.07481   106.61104  -147.44912
   46    44 S   CT   _C12    44     1.53967   107.48450    96.81733
   47    46 S   HC   _H14    45     1.10168   107.93793   102.36308
   48    46 S   HC   _H15    46     1.10212   108.06709   -12.80708
   49    46 S   CM   _C13    47     1.51168   117.58995  -136.48406
   50    49 S   CM   _C14    48     1.34857   122.60423    -1.87346
   51    49 S   CT   _C20    84     1.50800   112.79414   178.21304
   52    51 S   HC   _H26    85     1.08600   109.70797   -30.05231
   53    51 S   HC   _H27    86     1.08641   109.02367  -150.37131
   54    50 S   CT   _C9_    49     1.51039   121.86141     1.75591
   55    54 S   HC   _H3_    50     1.10413   106.52280   142.67123
   56    50 S   CT   _C15    67     1.50835   124.61070  -177.01600
   57    56 S   HC   _H6_    68     1.09325   107.41287     0.04846
   58    51 S   OH   _O36    87     1.41341   109.42178    90.27399
   59    58 S   HO   _H28    88     0.97316   107.28564  -179.97202
   60    39 S   CT   _C10    51     1.49563   123.70512    84.82799
   61    60 S   HC   _H4_    52     1.15912   109.31382   -84.20999
   62    54 S   OS   _O34    53     1.43259   108.11827  -103.68232
   63    56 S   CT   _C16    69     1.52582   109.36963   117.27410
   64    63 S   HC   _H16    70     1.09641   111.76307    63.28628
   65    63 S   HC   _H17    71     1.09562   110.30353   -56.67429
   66    63 S   HC   _H18    72     1.09603   111.29854  -176.03133
   67    56 S   CT   _C17    73     1.53417   111.62033  -119.85631
   68    67 S   HC   _H19    74     1.09778   110.22304   -79.98858
   69    67 S   HC   _H20    75     1.09765   108.50838    36.41342
   70    62 S   CO4  _C8_    54     1.36080   115.59043  -143.92874
   71    70 S   O    _O33    55     1.22326   125.97105     0.03956
   72    67 S   CT   _C18    76     1.53066   113.36913   157.10292
   73    72 S   HC   _H21    77     1.09681   110.19635   -55.10823
   74    72 S   HC   _H22    78     1.09630   110.84269    61.86129
   75    70 S   CM   _C6_    56     1.49385   109.33526  -179.73386
   76    72 S   CT   _C19    79     1.52361   111.56501  -176.63030
   77    76 S   HC   _H23    80     1.09523   110.83706    59.99524
   78    76 S   HC   _H24    81     1.09418   110.86532   -61.24580
   79    75 S   CM   _C5_    57     1.34632   115.89442  -120.24300
   80    79 S   HC   _H10    58     1.08783   119.52283   178.75243
   81    75 S   CT   _C7_    63     1.49986   118.34678    58.29211
   82    81 S   HC   _H11    64     1.09258   112.99921   -88.37220
   83    81 S   HC   _H12    65     1.09596   110.51346    30.52376
   84    81 S   HC   _H13    66     1.09460   110.38904   150.52543
   85    76 S   OH   _O35    82     1.42064   108.90007   179.35898
   86    85 S   HO   _H25    83     0.97051   106.82372  -179.97202
   87    79 S   CT   _C4_    59     1.49582   127.17335     0.03426
   88    87 S   HC   _H7_    60     1.09527   109.45041   -91.27361
   89    87 S   HC   _H8_    61     1.09210   113.68933   148.94584
   90    87 S   HC   _H9_    62     1.09355   109.89877    27.19983
  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   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  12   7  12   5   4
  14  20   6   3   2  11   5  14   8   1   1   3   1   5   7   3
   2   1   9   5   4   9   3   7   5   4  10   4   3   2   9   5
   4   2   1   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    60  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    54    60    61    42  
   35    39    40    60  
   39    40    60  
   37    38  
   38  
    0  
   40    41    44    45    46    50    54    55    60    61    62    42    43  
   41    44    45    46    54    60    61    42    43  
   44    45    46    47    48    49    54    60    61    42    43  
   43    44    60  
    0  
   45    46    47    48    49    50    54    55    60    61    62    51  
   46    47    48    49    54    60    61  
   47    48    49    50    54    60    61    56    51    52    53    58  
   48    49    50    60    51  
   49    50    60    51  
   50    54    55    60    62    56    57    63    67    51    52    53    58    59  
   54    55    60    61    62    70    56    57    63    64    65    66    67    68    69    72    51    52    53    58  
   52    53    58    59    54    56  
   53    58    59  
   58    59  
   55    60    61    62    70    71    75    56    57    63    67  
   60    61    62    70    56  
   57    63    64    65    66    67    68    69    72    73    74    76    60    62  
   63    64    65    66    67    68    69    72  
   59  
    0  
   61    62    70  
   62  
   70    71    75    79    81  
   64    65    66    67    68    69    72  
   65    66    67  
   66    67  
   67  
   68    69    72    73    74    76    77    78    85  
   69    72    73    74    76  
   72    73    74    76  
   71    75    79    80    87    81    82    83    84  
   75    79    81  
   73    74    76    77    78    85    86  
   74    76    77    78    85  
   76    77    78    85  
   79    80    87    88    89    90    81    82    83    84  
   77    78    85    86  
   78    85    86  
   85    86  
   80    87    88    89    90    81    82    83    84  
   87    88    89    90    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86  
    0  
   88    89    90  
   89    90  
   90  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660   0.145000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    60   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    60   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   317.000  1.510
   49    50   549.000  1.340
   49    51   317.000  1.510
   50    54   317.000  1.510
   50    56   317.000  1.510
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    62   320.000  1.410
   60    61   340.000  1.090
   62    70   214.000  1.327
   70    71   570.000  1.229
   70    75   320.000  1.462
   75    79   549.000  1.340
   75    81   317.000  1.510
   79    80   340.000  1.080
   79    87   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   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    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    85   320.000  1.410
   85    86   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   320.000  1.410
   58    59   553.000  0.945
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    60    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    60    44    70.00000  112.02700
   39    60    54    70.00000  112.02700
   39    60    61    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    60    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    49    70.00000  112.02700
   44    60    54    58.35000  112.70000
   44    60    61    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    49    50    70.00000  124.00000
   46    49    51    65.00000  117.92700
   48    46    47    33.00000  107.80000
   49    46    47    35.00000  109.50000
   49    46    48    35.00000  109.50000
   49    50    54    70.00000  124.00000
   49    50    56    70.00000  124.00000
   49    51    52    35.00000  109.50000
   49    51    53    35.00000  109.50000
   49    51    58    90.00000  110.39200
   50    54    55    35.00000  109.50000
   50    54    60    70.00000  112.02700
   50    54    62    85.00000  110.90400
   50    56    57    35.00000  109.50000
   50    56    63    70.00000  112.02700
   50    56    67    70.00000  112.02700
   54    60    61    37.50000  110.70000
   54    62    70    83.00000  116.90000
   60    39    40    70.00000  124.00000
   60    44    45    37.50000  110.70000
   60    44    46    58.35000  112.70000
   60    54    55    37.50000  110.70000
   62    54    55    35.00000  109.50000
   62    54    60    50.00000  109.50000
   62    70    71    83.00000  123.40000
   62    70    75    90.00000  111.29400
   70    75    79    65.00000  118.96000
   70    75    81    65.00000  116.34900
   75    70    71    80.00000  123.72100
   75    79    80    35.00000  120.00000
   75    79    87    70.00000  124.00000
   75    81    82    35.00000  109.50000
   75    81    83    35.00000  109.50000
   75    81    84    35.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    89    35.00000  109.50000
   79    87    90    35.00000  109.50000
   87    79    80    35.00000  117.00000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   81    75    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   56    50    54    65.00000  117.92700
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    66    37.50000  110.70000
   56    67    68    37.50000  110.70000
   56    67    69    37.50000  110.70000
   56    67    72    58.35000  112.70000
   63    56    57    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    56    57    37.50000  110.70000
   67    56    63    58.35000  112.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    76    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    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    85    50.00000  109.50000
   74    72    73    33.00000  107.80000
   76    72    73    37.50000  110.70000
   76    72    74    37.50000  110.70000
   76    85    86    55.00000  108.50000
   78    76    77    33.00000  107.80000
   85    76    77    35.00000  109.50000
   85    76    78    35.00000  109.50000
   51    49    50    70.00000  124.00000
   51    58    59    55.00000  108.50000
   53    51    52    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    53    35.00000  109.50000
   42    40    41   115.00000  116.36000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    60   0.30250  1.0 1.0
   29    33    39    60  -0.14950 -1.0 2.0
   29    33    39    60   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    60    44   0.46850  1.0 1.0
   33    39    60    44   0.08550 -1.0 2.0
   33    39    60    44   0.09800  1.0 3.0
   33    39    60    54   0.46850  1.0 1.0
   33    39    60    54   0.08550 -1.0 2.0
   33    39    60    54   0.09800  1.0 3.0
   33    39    60    61   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    60   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    60   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39   -60    44   0.09850  1.0 1.0
   40    39   -60    44   0.15250 -1.0 2.0
   40    39   -60    44  -0.50650  1.0 3.0
   40    39    60    54   0.09850  1.0 1.0
   40    39    60    54   0.15250 -1.0 2.0
   40    39    60    54  -0.50650  1.0 3.0
   40    39    60    61   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.46850  1.0 1.0
   40    41    44    46   0.09300 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41   -44    60  -0.46850  1.0 1.0
   40    41   -44    60   0.09300 -1.0 2.0
   40    41   -44    60  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.23400  1.0 3.0
   41    44    46    49   0.61850  1.0 1.0
   41    44    46    49  -0.22750 -1.0 2.0
   41    44    46    49   0.15300  1.0 3.0
   41    44   -60    39   0.61850  1.0 1.0
   41    44   -60    39  -0.22750 -1.0 2.0
   41    44   -60    39   0.15300  1.0 3.0
   41    44    60    54   0.62750  1.0 1.0
   41    44    60    54  -0.30950 -1.0 2.0
   41    44    60    54   0.27300  1.0 3.0
   41    44    60    61   0.23400  1.0 3.0
   44    46    49    50   0.09850  1.0 1.0
   44    46    49    50   0.15250 -1.0 2.0
   44    46    49    50  -0.50650  1.0 3.0
   44    46    49    51   0.46850  1.0 1.0
   44    46    49    51   0.08550 -1.0 2.0
   44    46    49    51   0.09800  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    60    39   0.15000  1.0 3.0
   45    44    60    54   0.15000  1.0 3.0
   45    44    60    61   0.15000  1.0 3.0
   46    44    60    39   0.34400  1.0 1.0
   46    44    60    39   0.09450 -1.0 2.0
   46    44    60    39   0.11100  1.0 3.0
   46    44    60    54   0.56750  1.0 1.0
   46    44    60    54  -0.07550 -1.0 2.0
   46    44    60    54   0.20000  1.0 3.0
   46    44    60    61   0.15000  1.0 3.0
   46    49   -50    54   7.00000 -1.0 2.0
   46    49    50    56   7.00000 -1.0 2.0
   46    49    51    52   0.34800  1.0 3.0
   46    49    51    53   0.34800  1.0 3.0
   46    49    51    58   0.18000  1.0 1.0
   46    49    51    58   0.16450 -1.0 2.0
   46    49    51    58   0.04450  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.34800  1.0 3.0
   48    46    49    50   0.00000  1.0 1.0
   48    46    49    51   0.34800  1.0 3.0
   49    50    54    55   0.00000  1.0 1.0
   49    50    54    60   0.09850  1.0 1.0
   49    50    54    60   0.15250 -1.0 2.0
   49    50    54    60  -0.50650  1.0 3.0
   49    50    54    62   0.39000  1.0 1.0
   49    50    54    62  -0.05800 -1.0 2.0
   49    50    54    62  -0.55150  1.0 3.0
   49    50    56    57   0.00000  1.0 1.0
   49    50    56    63   0.09850  1.0 1.0
   49    50    56    63   0.15250 -1.0 2.0
   49    50    56    63  -0.50650  1.0 3.0
   49    50    56    67   0.09850  1.0 1.0
   49    50    56    67   0.15250 -1.0 2.0
   49    50    56    67  -0.50650  1.0 3.0
   49    51    58    59  -0.07800  1.0 1.0
   49    51    58    59  -0.21500 -1.0 2.0
   49    51    58    59  -0.03150  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    53   0.00000  1.0 1.0
   50    49    51    58   0.67800  1.0 1.0
   50    49    51    58   0.47050 -1.0 2.0
   50    49    51    58  -0.62500  1.0 3.0
   50    54    60    39   0.31000  1.0 1.0
   50    54    60    39   0.14700 -1.0 2.0
   50    54    60    39   0.07550  1.0 3.0
   50    54   -60    44   0.34400  1.0 1.0
   50    54   -60    44   0.09450 -1.0 2.0
   50    54   -60    44   0.11100  1.0 3.0
   50    54    60    61   0.15000  1.0 3.0
   50    54    62    70  -0.82050  1.0 1.0
   50    54    62    70   0.00600 -1.0 2.0
   50    54    62    70   0.04400  1.0 3.0
   50    56    63    64   0.15000  1.0 3.0
   50    56    63    65   0.15000  1.0 3.0
   50    56    63    66   0.15000  1.0 3.0
   50    56    67    68   0.15000  1.0 3.0
   50    56    67    69   0.15000  1.0 3.0
   50    56    67    72   0.34400  1.0 1.0
   50    56    67    72   0.09450 -1.0 2.0
   50    56    67    72   0.11100  1.0 3.0
   54    50    56    57   0.34800  1.0 3.0
   54    50    56    63   0.46850  1.0 1.0
   54    50    56    63   0.08550 -1.0 2.0
   54    50    56    63   0.09800  1.0 3.0
   54    50    56    67   0.46850  1.0 1.0
   54    50    56    67   0.08550 -1.0 2.0
   54    50    56    67   0.09800  1.0 3.0
   54    62    70    71   3.00000 -1.0 2.0
   54    62    70    75   2.00000 -1.0 2.0
   55    54    60    39   0.15000  1.0 3.0
   55    54    60    44   0.15000  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    62    70   0.08050  1.0 3.0
   60    39   -40    41   7.00000 -1.0 2.0
   60    39    40    42   7.00000 -1.0 2.0
   60    44    46    47   0.15000  1.0 3.0
   60    44    46    48   0.15000  1.0 3.0
   60    44   -46    49   0.34400  1.0 1.0
   60    44   -46    49   0.09450 -1.0 2.0
   60    44   -46    49   0.11100  1.0 3.0
   60    54    62    70  -0.25900  1.0 1.0
   60    54    62    70  -0.47000 -1.0 2.0
   60    54    62    70   0.11750  1.0 3.0
   62    54    60    39   0.61850  1.0 1.0
   62    54    60    39  -0.22750 -1.0 2.0
   62    54    60    39   0.15300  1.0 3.0
   62    54    60    44   0.62750  1.0 1.0
   62    54    60    44  -0.30950 -1.0 2.0
   62    54    60    44   0.27300  1.0 3.0
   62    54    60    61   0.23400  1.0 3.0
   62    70    75    79  -0.56150  1.0 1.0
   62    70    75    79   2.19150 -1.0 2.0
   62    70    75    81  -0.15000  1.0 1.0
   62    70    75    81   0.89550 -1.0 2.0
   62    70    75    81  -0.06900  1.0 3.0
   70    75    79    80   7.00000 -1.0 2.0
   70    75    79    87   7.00000 -1.0 2.0
   70    75    81    82   0.15000  1.0 3.0
   70    75    81    83   0.15000  1.0 3.0
   70    75    81    84   0.15000  1.0 3.0
   71    70    75    79   1.00000 -1.0 2.0
   71    70    75    81  -0.64400  1.0 1.0
   71    70    75    81   0.26850 -1.0 2.0
   75    79    87    88   0.00000  1.0 1.0
   75    79    87    89   0.00000  1.0 1.0
   75    79    87    90   0.00000  1.0 1.0
   79    75    81    82   0.00000  1.0 1.0
   79    75    81    83   0.00000  1.0 1.0
   79    75    81    84   0.00000  1.0 1.0
   80    79    87    88   0.33100  1.0 3.0
   80    79    87    89   0.33100  1.0 3.0
   80    79    87    90   0.33100  1.0 3.0
   81    75    79    80   7.00000 -1.0 2.0
   81    75    79    87   7.00000 -1.0 2.0
   56    50    54    55   0.34800  1.0 3.0
   56    50    54    60   0.46850  1.0 1.0
   56    50    54    60   0.08550 -1.0 2.0
   56    50    54    60   0.09800  1.0 3.0
   56    50    54    62   0.09700  1.0 1.0
   56    50    54    62   0.15600 -1.0 2.0
   56    50    54    62  -0.50800  1.0 3.0
   56    67    72    73   0.15000  1.0 3.0
   56    67    72    74   0.15000  1.0 3.0
   56    67    72    76   0.56750  1.0 1.0
   56    67    72    76  -0.07550 -1.0 2.0
   56    67    72    76   0.20000  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    66   0.15000  1.0 3.0
   57    56    67    68   0.15000  1.0 3.0
   57    56    67    69   0.15000  1.0 3.0
   57    56    67    72   0.15000  1.0 3.0
   63    56    67    68   0.15000  1.0 3.0
   63    56    67    69   0.15000  1.0 3.0
   63    56    67    72   0.56750  1.0 1.0
   63    56    67    72  -0.07550 -1.0 2.0
   63    56    67    72   0.20000  1.0 3.0
   67    56    63    64   0.15000  1.0 3.0
   67    56    63    65   0.15000  1.0 3.0
   67    56    63    66   0.15000  1.0 3.0
   67    72    76    77   0.15000  1.0 3.0
   67    72    76    78   0.15000  1.0 3.0
   67    72    76    85   0.86500  1.0 1.0
   67    72    76    85  -0.17500 -1.0 2.0
   67    72    76    85   0.20800  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    76   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    76   0.15000  1.0 3.0
   72    76    85    86  -0.11600  1.0 1.0
   72    76    85    86  -0.09450 -1.0 2.0
   72    76    85    86   0.21250  1.0 3.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    78   0.15000  1.0 3.0
   73    72    76    85   0.23400  1.0 3.0
   74    72    76    77   0.15000  1.0 3.0
   74    72    76    78   0.15000  1.0 3.0
   74    72    76    85   0.23400  1.0 3.0
   77    76    85    86   0.19450  1.0 3.0
   78    76    85    86   0.19450  1.0 3.0
   51    49    50    54   7.00000 -1.0 2.0
   51    49    50    56   7.00000 -1.0 2.0
   52    51    58    59   0.19450  1.0 3.0
   53    51    58    59   0.19450  1.0 3.0
   42    40    41    44   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    60    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   46    51    49    50   1.10000 -1.0 2.0
   54    56    50    49   1.10000 -1.0 2.0
   62    75    70    71  10.50000 -1.0 2.0
   70    81    75    79  15.00000 -1.0 2.0
   87    80    79    75  15.00000 -1.0 2.0
END
