* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    141    215     417
    1     0 S   NP   _N1_     1    30.86041    89.11284   -18.47884
    2     1 S   H    _HN1     2     1.02901    21.03215    28.64400
    3     1 S   H    _H1_     3     1.02738   121.71420   -24.82348
    4     1 S   H    _H2_     4     1.03123   112.91236   106.24347
    5     1 S   CT   _CA1     5     1.50045    89.88346  -141.20109
    6     5 S   HC   _HA1     6     1.09666   104.93234    65.80543
    7     5 S   CO3  _C1_     7     1.54260   110.88605   -51.37637
    8     7 S   O2Z  _O11     8     1.26168   116.31596  -101.69819
    9     7 S   O2Z  _O12     9     1.26475   114.01436    76.59564
   10     5 S   CT   _CB1    10     1.53100   107.42768  -177.74580
   11    10 S   HC   HB11    11     1.09826   110.18440   -46.51347
   12    10 S   HC   HB12    12     1.09743   110.31807    69.90801
   13    10 S   CT   _CG1    13     1.53035   111.74265  -166.86775
   14    13 S   HC   HG11    14     1.09572   111.63563   -51.52511
   15    13 S   HC   HG12    15     1.09615   110.30868    67.18947
   16    13 S   C    _CD1    16     1.51320   110.98011  -172.53139
   17    16 S   O    _OE1    17     1.22778   121.84158  -102.59975
   18    16 S   N    _N2_    18     1.38365   112.49851    77.18294
   19    18 S   H    _HN2    19     1.01667   118.94586     0.37220
   20    18 S   CT1  _CA2    20     1.46131   123.67938   179.64723
   21    20 S   HC   _HA2    21     1.09738   109.36668   -10.76139
   22    20 S   C    _C2_    22     1.53533   108.47074  -126.25032
   23    22 S   O    _O2_    23     1.23033   122.27702  -148.32910
   24    20 S   CT   _CB2    32     1.53291   111.16228   111.47804
   25    24 S   HC   HB21    33     1.09498   109.71370    51.28776
   26    24 S   HC   HB22    34     1.09497   110.60191   170.42597
   27    22 S   N    _N3_    24     1.38536   113.50434    39.39906
   28    27 S   H    _HN3    25     1.01508   118.91891    -0.91150
   29    24 S   S    _SG2    35     1.82854   111.71492   -70.20006
   30    27 S   CT   _CA3    26     1.45423   123.30728   175.22078
   31    30 S   HC   HA31    27     1.09536   109.02971    28.21260
   32    30 S   HC   HA32    28     1.09492   107.16704   145.16142
   33    29 S   CT   _C11    36     1.84233    99.24694   171.88456
   34    33 S   HC   _H3_    37     1.09573   105.90734    33.45165
   35    30 S   CO3  _C3_    29     1.52933   113.29809   -95.13759
   36    35 S   O2Z  _O31    30     1.26392   115.49587   -43.14167
   37    35 S   O2Z  _O32    31     1.26377   114.94119   137.84831
   38    33 S   CA   _C7_    38     1.52311   111.21917   150.02017
   39    33 S   CM   _C12    54     1.51307   108.95672   -85.76672
   40    39 S   HC   _H16    55     1.08916   115.38480   -66.26284
   41    38 S   CA   _C8_    39     1.40338   119.29909  -121.03259
   42    41 S   HA   _H13    40     1.08766   120.41266     0.29342
   43    39 S   CMA  _C13    56     1.35532   126.86229   114.13206
   44    43 S   OM   _O35    57     1.26550   126.23247     1.88720
   45    41 S   CA   _C9_    41     1.39405   120.73321  -179.55943
   46    45 S   HA   _H14    42     1.08614   119.32590  -179.97202
   47    43 S   OS   _O36    58     1.41483   111.52409   178.15019
   48    45 S   CA   _C10    43     1.39400   119.68969     0.13706
   49    47 S   CT   _C14    59     1.44706   113.57967    94.23275
   50    49 S   HC   _H4_    60     1.09927   111.11700   -10.10928
   51    48 S   CA   _C5_    44     1.39884   121.06840     0.07402
   52    48 S   OH   _O34    52     1.37041   119.80919  -180.00000
   53    52 S   HO   _H15    53     0.97200   108.73495    -0.22117
   54    49 S   CT   _C15    61     1.53763   108.76584   111.85649
   55    54 S   HC   _H5_    62     1.09756   108.77219    43.39208
   56    38 S   CA   _C6_    45     1.40977   122.06020    59.81877
   57    56 S   HA   _H12    46     1.08624   118.29298    -0.40056
   58    51 S   OS   _O33    47     1.37078   116.07040   179.88131
   59    54 S   CT   _C16    63     1.53327   112.30510   164.56124
   60    59 S   HC   _H6_    64     1.09579   109.37167  -172.38611
   61    54 S   OH   _O41    79     1.42577   110.15095   -73.19410
   62    61 S   HO   _H22    80     0.97159   107.90589  -178.04035
   63    58 S   CT   _C4_    48     1.42221   117.15679   179.54500
   64    63 S   HC   _H9_    49     1.09430   107.74372  -179.67615
   65    63 S   HC   _H10    50     1.09500   111.13866    62.61785
   66    63 S   HC   _H11    51     1.09502   111.16270   -61.95014
   67    59 S   CT   _C17    65     1.53166   110.58553   -50.74466
   68    67 S   HC   _H7_    66     1.09784   110.56478   -62.51786
   69    59 S   OH   _O40    77     1.42850   110.05716    71.55284
   70    69 S   HO   _H21    78     0.97512   108.94675   -74.58169
   71    67 S   OS   _O37    67     1.43460   109.16601    56.22375
   72    67 S   CT   _C19    72     1.52812   112.16494   175.51721
   73    72 S   HC   _H18    73     1.09438   110.94770    53.04181
   74    72 S   HC   _H19    74     1.09357   111.62269   -69.37830
   75    49 S   CO   _C18    68     1.53828   106.69647  -130.23495
   76    75 S   HC   _H8_    69     1.09795   110.51027   -48.53910
   77    72 S   OH   _O39    75     1.42542   109.03359   171.92319
   78    77 S   HO   _H20    76     0.97276   106.81308   178.75118
   79    75 S   OH   _O38    70     1.42647   109.25916    69.17873
   80    79 S   HO   _H17    71     0.97209   106.93527  -142.70925
  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
  13   6   2   1   1  12   7   3   8   4   6   2   7   3  10   7
  14   8   9   3   1  14   7   3   1   4  13   7   4   1   3   2
   1   1  12   7   3   1   8   5   3   2   3   2   1   1   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    41    56    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    56    57    39    40    43    44    47  
   38    41    56    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    56    57    58    39    40    43  
   40    43    44    47    49    41    56  
   43    44    47  
   42    45    46    48    51    56    57    52  
   45    46    48    56  
   44    47    49    50    54    75  
   47    49  
   46    48    51    56    58    52    53  
   48    51    52  
   49    50    54    55    59    71    75    76    79    61  
   51    56    57    58    63    52    53  
   50    54    55    59    60    67    71    75    76    79    80    69    61    62  
   54    55    59    71    75    76    79    61  
   56    57    58    63    64    65    66    52    53  
   53    56    58  
    0  
   55    59    60    67    68    71    75    76    79    72    69    70    61    62  
   59    60    67    75    69    61    62  
   57    58    63  
   58  
   63    64    65    66  
   60    67    68    71    75    72    73    74    77    69    70    61    62  
   67    68    71    72    69    70    61  
   62    67    69    75  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    71    75    76    79    72    73    74    77    78    69    70  
   71    75    72    73    74    77    69  
   70    71    72  
    0  
   75    76    79    80    72    73    74    77  
   73    74    77    78    75  
   74    77    78  
   77    78  
   76    79    80  
   79    80  
   78  
    0  
   80  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.145000   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   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   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    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    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    56   469.000  1.400
   51    58   450.000  1.364
   56    57   367.000  1.080
   58    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    54   268.000  1.529
   49    75   250.000  1.527
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    61   320.000  1.410
   59    60   340.000  1.090
   59    67   268.000  1.529
   59    69   320.000  1.410
   67    68   340.000  1.090
   67    71   320.000  1.410
   67    72   268.000  1.529
   71    75   320.000  1.380
   75    76   340.000  1.090
   75    79   380.000  1.407
   79    80   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   320.000  1.410
   77    78   553.000  0.945
   69    70   553.000  0.945
   61    62   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    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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    56    51    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    51    58    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    56    57    35.00000  120.00000
   51    58    63    75.00000  111.00000
   56    38    41    63.00000  120.00000
   58    51    56    70.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    54    50.00000  109.50000
   47    49    75    90.00000  109.38000
   49    54    55    37.50000  110.70000
   49    54    59    58.35000  112.70000
   49    54    61    50.00000  109.50000
   49    75    71    90.00000  108.56700
   49    75    76    45.00000  112.01100
   49    75    79    90.00000  110.19100
   54    49    50    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    67    58.35000  112.70000
   54    59    69    50.00000  109.50000
   54    61    62    55.00000  108.50000
   59    54    55    37.50000  110.70000
   59    67    68    37.50000  110.70000
   59    67    71    50.00000  109.50000
   59    67    72    58.35000  112.70000
   59    69    70    55.00000  108.50000
   67    59    60    37.50000  110.70000
   67    71    75    60.00000  109.50000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    77    50.00000  109.50000
   71    67    68    35.00000  109.50000
   71    75    76    35.00000  109.50000
   71    75    79   110.00000  112.08000
   75    49    50    45.00000  108.72000
   75    49    54    75.00000  109.43000
   75    79    80    70.00000  107.92000
   79    75    76    60.00000  108.02500
   72    67    68    37.50000  110.70000
   72    67    71    50.00000  109.50000
   72    77    78    55.00000  108.50000
   74    72    73    33.00000  107.80000
   77    72    73    35.00000  109.50000
   77    72    74    35.00000  109.50000
   69    59    60    35.00000  109.50000
   69    59    67    50.00000  109.50000
   61    54    55    35.00000  109.50000
   61    54    59    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    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    56    51   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    56    51   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    56   3.62500 -1.0 2.0
   45    48    51    58   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -56    38   3.62500 -1.0 2.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51    58    63   1.63200 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   51    58    63    64   0.08050  1.0 3.0
   51    58    63    65   0.08050  1.0 3.0
   51    58    63    66   0.08050  1.0 3.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    45   3.62500 -1.0 2.0
   56    51    58    63   1.63200 -1.0 2.0
   58    51    56    38   3.62500 -1.0 2.0
   58    51    56    57   3.62500 -1.0 2.0
   52    48    51    56   3.62500 -1.0 2.0
   52    48    51    58   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    56   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.46850  1.0 1.0
   43    47    49    54   0.09300 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    75  -0.46850  1.0 1.0
   43    47    49    75   0.09300 -1.0 2.0
   43    47    49    75  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.23400  1.0 3.0
   47    49    54    59   0.62750  1.0 1.0
   47    49    54    59  -0.30950 -1.0 2.0
   47    49    54    59   0.27300  1.0 3.0
   47    49    54    61   3.69350  1.0 1.0
   47    49    54    61  -1.82950 -1.0 2.0
   47    49    75    71   1.11900  1.0 1.0
   47    49    75    71  -1.16350 -1.0 2.0
   47    49    75    71  -0.34150  1.0 3.0
   47    49    75    76   0.23400  1.0 3.0
   47    49    75    79   3.69350  1.0 1.0
   47    49    75    79  -1.82950 -1.0 2.0
   49    54    59    60   0.15000  1.0 3.0
   49    54    59    67   0.56750  1.0 1.0
   49    54    59    67  -0.07550 -1.0 2.0
   49    54    59    67   0.20000  1.0 3.0
   49    54    59    69   0.86500  1.0 1.0
   49    54    59    69  -0.17500 -1.0 2.0
   49    54    59    69   0.20800  1.0 3.0
   49    54    61    62  -0.11600  1.0 1.0
   49    54    61    62  -0.09450 -1.0 2.0
   49    54    61    62   0.21250  1.0 3.0
   49    75    79    80  -0.11600  1.0 1.0
   49    75    79    80  -0.09450 -1.0 2.0
   49    75    79    80   0.21250  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    59   0.15000  1.0 3.0
   50    49    54    61   0.23400  1.0 3.0
   50    49    75    71   0.23400  1.0 3.0
   50    49    75    76   0.15000  1.0 3.0
   50    49    75    79   0.23400  1.0 3.0
   54    49    75    71   0.62750  1.0 1.0
   54    49    75    71  -0.30950 -1.0 2.0
   54    49    75    71   0.27300  1.0 3.0
   54    49    75    76   0.15000  1.0 3.0
   54    49    75    79   0.86500  1.0 1.0
   54    49    75    79  -0.17500 -1.0 2.0
   54    49    75    79   0.20800  1.0 3.0
   54    59    67    68   0.15000  1.0 3.0
   54    59   -67    71   0.62750  1.0 1.0
   54    59   -67    71  -0.30950 -1.0 2.0
   54    59   -67    71   0.27300  1.0 3.0
   54    59    67    72   0.56750  1.0 1.0
   54    59    67    72  -0.07550 -1.0 2.0
   54    59    67    72   0.20000  1.0 3.0
   54    59    69    70  -0.11600  1.0 1.0
   54    59    69    70  -0.09450 -1.0 2.0
   54    59    69    70   0.21250  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    67   0.15000  1.0 3.0
   55    54    59    69   0.23400  1.0 3.0
   55    54    61    62   0.19450  1.0 3.0
   59    54    61    62  -0.11600  1.0 1.0
   59    54    61    62  -0.09450 -1.0 2.0
   59    54    61    62   0.21250  1.0 3.0
   59    67    71    75   0.06250  1.0 1.0
   59    67    71    75  -0.01100 -1.0 2.0
   59    67    71    75   0.28050  1.0 3.0
   59    67    72    73   0.15000  1.0 3.0
   59    67    72    74   0.15000  1.0 3.0
   59    67    72    77   0.86500  1.0 1.0
   59    67    72    77  -0.17500 -1.0 2.0
   59    67    72    77   0.20800  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    71   0.23400  1.0 3.0
   60    59    67    72   0.15000  1.0 3.0
   60    59    69    70   0.19450  1.0 3.0
   67    59    69    70  -0.11600  1.0 1.0
   67    59    69    70  -0.09450 -1.0 2.0
   67    59    69    70   0.21250  1.0 3.0
   67    71   -75    49   0.06250  1.0 1.0
   67    71   -75    49  -0.01100 -1.0 2.0
   67    71   -75    49   0.28050  1.0 3.0
   67    71    75    76   0.37050  1.0 3.0
   67    71    75    79  -0.81800  1.0 1.0
   67    72    77    78  -0.11600  1.0 1.0
   67    72    77    78  -0.09450 -1.0 2.0
   67    72    77    78   0.21250  1.0 3.0
   68    67    71    75   0.37050  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    77   0.23400  1.0 3.0
   71    67    72    73   0.23400  1.0 3.0
   71    67    72    74   0.23400  1.0 3.0
   71    67    72    77   3.69350  1.0 1.0
   71    67    72    77  -1.82950 -1.0 2.0
   71    75    79    80  -0.50000  1.0 1.0
   71    75    79    80  -0.73950 -1.0 2.0
   71    75    79    80   0.17150  1.0 3.0
   75    49    54    55   0.15000  1.0 3.0
   75    49   -54    59   3.97050  1.0 1.0
   75    49    54    61   0.86500  1.0 1.0
   75    49    54    61  -0.17500 -1.0 2.0
   75    49    54    61   0.20800  1.0 3.0
   76    75    79    80   0.19450  1.0 3.0
   72    67    71    75   0.06250  1.0 1.0
   72    67    71    75  -0.01100 -1.0 2.0
   72    67    71    75   0.28050  1.0 3.0
   73    72    77    78   0.19450  1.0 3.0
   74    72    77    78   0.19450  1.0 3.0
   69    59    67    68   0.23400  1.0 3.0
   69    59    67    71   3.69350  1.0 1.0
   69    59    67    71  -1.82950 -1.0 2.0
   69    59    67    72   0.86500  1.0 1.0
   69    59    67    72  -0.17500 -1.0 2.0
   69    59    67    72   0.20800  1.0 3.0
   61    54    59    60   0.23400  1.0 3.0
   61    54    59    67   0.86500  1.0 1.0
   61    54    59    67  -0.17500 -1.0 2.0
   61    54    59    67   0.20800  1.0 3.0
   61    54    59    69   3.75450  1.0 1.0
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
   41    56    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   56    58    51    48   4.00000 -1.0 2.0
   51    57    56    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
END
