* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    148    226     430
    1     0 S   NP   _N1_     1    30.45274    92.67246   -16.51339
    2     1 S   H    _HN1     2     1.03369   108.45638    -1.35869
    3     1 S   H    _H1_     3     1.02884   123.39516   125.53591
    4     1 S   H    _H2_     4     1.02775    19.66128    87.66056
    5     1 S   CT   _CA1     5     1.49831    93.35457  -116.53135
    6     5 S   HC   _HA1     6     1.09571   105.30319    51.40931
    7     5 S   CO3  _C1_     7     1.53796   112.39330   -68.93984
    8     7 S   O2Z  _O11     8     1.26372   115.14239   -48.26737
    9     7 S   O2Z  _O12     9     1.26263   114.92601   131.10642
   10     5 S   CT   _CB1    10     1.53049   107.56773   169.39665
   11    10 S   HC   HB11    11     1.09783   109.42379   -51.41942
   12    10 S   HC   HB12    12     1.09793   110.35785    64.86042
   13    10 S   CT   _CG1    13     1.53053   112.59490  -172.41351
   14    13 S   HC   HG11    14     1.09575   111.24809   -64.50556
   15    13 S   HC   HG12    15     1.09606   110.58447    54.67830
   16    13 S   C    _CD1    16     1.51381   110.55579   174.42262
   17    16 S   O    _OE1    17     1.22814   121.71681  -101.07364
   18    16 S   N    _N2_    18     1.38430   112.90796    77.96754
   19    18 S   H    _HN2    19     1.01570   119.12007     4.08552
   20    18 S   CT1  _CA2    20     1.46154   123.30466  -176.54628
   21    20 S   HC   _HA2    21     1.09583   109.12472     0.54787
   22    20 S   C    _C2_    22     1.53396   108.90197  -114.90192
   23    22 S   O    _O2_    23     1.23050   122.14086  -144.44225
   24    20 S   CT   _CB2    32     1.53502   111.54100   122.55356
   25    24 S   HC   HB21    33     1.09653   109.57939    63.66547
   26    24 S   HC   HB22    34     1.09565   111.13352  -178.71946
   27    22 S   N    _N3_    24     1.38478   113.59962    42.95743
   28    27 S   H    _HN3    25     1.01489   119.07220    -0.17246
   29    24 S   S    _SG2    35     1.82620   113.80439   -55.52503
   30    27 S   CT   _CA3    26     1.45427   123.17305   175.24470
   31    30 S   HC   HA31    27     1.09544   108.90186    30.51770
   32    30 S   HC   HA32    28     1.09488   107.19530   147.46735
   33    29 S   CT   _C22    36     1.82580    99.99661   -75.01152
   34    33 S   HC   _H20    37     1.09407   110.91817    37.01076
   35    33 S   HC   _H21    38     1.09445   108.16413   -79.43383
   36    30 S   CO3  _C3_    29     1.52953   113.39743   -92.72176
   37    36 S   O2Z  _O31    30     1.26381   115.55325   -41.53025
   38    36 S   O2Z  _O32    31     1.26379   114.88682   139.42362
   39    33 S   CM   _C5_    39     1.51935   109.45000   157.68197
   40    39 S   CMA  _C6_    40     1.36493   123.24999    97.84847
   41    40 S   OM   _O33    41     1.26860   125.66283     2.09022
   42    39 S   CT   _C4_    77     1.51639   113.21209   -83.01532
   43    42 S   HC   _H6_    78     1.09536   110.02064   -52.99697
   44    42 S   HC   _H7_    79     1.09370   110.33036    66.63168
   45    42 S   HC   _H8_    80     1.09327   113.96745  -172.58651
   46    40 S   OS   _O34    42     1.41708   111.68637  -179.18387
   47    46 S   CT   _C7_    43     1.45663   115.99850   126.89221
   48    47 S   HC   _H3_    44     1.09818   110.61543    28.84615
   49    47 S   CM   _C8_    45     1.53058   105.25523   -86.75395
   50    49 S   HC   _H9_    46     1.09312   110.07206    48.17277
   51    47 S   CT   _C16    59     1.55484   105.20618   145.12947
   52    51 S   HC   _H5_    60     1.09595   108.41115    62.96916
   53    49 S   CM   _C9_    47     1.35400   136.31214  -132.11260
   54    51 S   CM   _C17    61     1.50028   113.68895   -56.42819
   55    53 S   CM   _C10    48     1.44644   123.70489    -5.44388
   56    54 S   CO4  _C19    62     1.46969   110.34286  -105.02992
   57    56 S   O    _O37    63     1.21748   127.24927   171.28957
   58    54 S   CM   _C18    65     1.33691   128.47907    79.67464
   59    58 S   HC   _H13    66     1.08502   120.76830    -2.58225
   60    58 S   HC   _H14    67     1.08487   121.89076   177.73947
   61    53 S   CT   _C21    73     1.54180   119.82359  -178.81733
   62    61 S   OM   _O39    74     1.32548   106.99148  -102.94339
   63    61 S   HC   _H18    75     1.10196   106.58259   129.16042
   64    61 S   HC   _H19    76     1.10317   106.51865    23.84952
   65    55 S   CM   _C11    49     1.33288   125.57763  -115.13615
   66    65 S   HC   _H10    50     1.07375   130.91818    -3.33390
   67    79 S   OS   _O38    64     1.44498   108.22135  -167.29753
   68    65 S   CO4  _C12    51     1.45644   101.24089   166.75116
   69    68 S   O    _O35    52     1.22077   123.52668   176.47652
   70    68 S   CT   _C13    53     1.50953   110.05261    -6.48891
   71    70 S   CT   _C14    54     1.54358   111.48216   -99.97748
   72    71 S   HC   _H11    55     1.09809   109.83759   -46.50002
   73    71 S   HC   _H12    56     1.09853   109.56435  -161.45551
   74    55 S   OS   _O36    68     1.38996   116.44106    59.76006
   75    70 S   CT   _C20    69     1.52105   110.98912   133.51836
   76    75 S   HC   _H15    70     1.09553   110.79134  -170.93011
   77    75 S   HC   _H16    71     1.09490   111.54689    67.79909
   78    75 S   HC   _H17    72     1.09626   111.00765   -52.68821
   79    71 S   CT   _C15    57     1.54703   114.47383    77.07624
   80    79 S   HC   _H4_    58     1.09301   110.51635   -52.98204
  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   8  10   3   4   2   1   1   9  15   7
  13   4  15   7  10   9  12   8   3   4   1   1   5   2   1   1
   7   4   6  11   4  10   9   5   4   5   4   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    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    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    51    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    53    79    51    52    54  
   48    49    50    53    55    71    79    80    51    52    54    56    67    58    61  
   49    50    53    79    51    52    54  
   50    53    55    65    79    51    52    54    74    61    62    63    64  
   53    55    51    61  
   52    54    56    57    67    58    59    60    53    70    71    72    73    79    80  
   54    56    67    58    71    79    80  
   55    65    66    68    70    74    61    62    63    64  
   56    57    67    58    59    60    71    79    80  
   65    66    68    69    70    71    74    75    61    62    63    64  
   57    67    58    59    60    71    79    80  
   67    58    79  
   59    60    67    79  
   60  
    0  
   62    63    64    65    74  
   63    64  
   64  
    0  
   66    68    69    70    71    74    75  
   68    69    70    74  
   70    71    72    73    79    80  
   69    70    71    72    73    79    74    75    76    77    78  
   70    71    74    75  
   71    72    73    79    80    74    75    76    77    78  
   72    73    79    80    74    75    76    77    78  
   73    79    80    74    75  
   79    80    74    75  
   75    76    77    78    79  
   76    77    78    79  
   77    78  
   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   0.047500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   63   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   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   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   317.000  1.510
   47    51   268.000  1.529
   49    50   340.000  1.080
   49    53   549.000  1.340
   53    55   380.000  1.444
   53    61   317.000  1.510
   55    65   549.000  1.340
   55    74   440.000  1.360
   65    66   340.000  1.080
   65    68   320.000  1.462
   68    69   570.000  1.229
   68    70   317.000  1.522
   70    71   268.000  1.529
   70    74   320.000  1.410
   70    75   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    51   268.000  1.529
   79    67   320.000  1.410
   51    52   340.000  1.090
   51    54   317.000  1.510
   54    56   320.000  1.462
   54    58   549.000  1.340
   56    57   570.000  1.229
   56    67   214.000  1.327
   58    59   340.000  1.080
   58    60   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   61    62   570.000  1.307
   61    63   340.000  1.090
   61    64   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    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    42    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    65.00000  137.10300
   39    40    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    85.00000  110.90400
   46    47    51    50.00000  109.50000
   47    49    50    35.00000  117.00000
   47    49    53    70.00000  124.00000
   47    51    79    58.35000  112.70000
   47    51    52    37.50000  110.70000
   47    51    54    70.00000  112.02700
   49    47    48    35.00000  109.50000
   49    53    55    70.00000  123.01800
   49    53    61    70.00000  124.00000
   53    49    50    35.00000  120.00000
   53    55    65    70.00000  123.01800
   53    55    74    80.00000  120.01400
   53    61    62    85.00000  110.90400
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   55    65    66    35.00000  120.00000
   55    65    68    65.00000  118.96000
   55    74    70    90.00000  111.18400
   65    68    69    80.00000  123.72100
   65    68    70    65.00000  118.62400
   68    65    66    40.00000  117.72500
   68    70    71    63.00000  111.10000
   68    70    74    90.00000  108.74100
   68    70    75    63.00000  111.10000
   70    68    69    80.00000  120.40000
   70    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   70    71    79    58.35000  112.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    37.50000  110.70000
   71    79    80    37.50000  110.70000
   71    79    51    58.35000  112.70000
   71    79    67    50.00000  109.50000
   73    71    72    33.00000  107.80000
   79    71    72    37.50000  110.70000
   79    71    73    37.50000  110.70000
   79    51    52    37.50000  110.70000
   79    51    54    70.00000  112.02700
   79    67    56    83.00000  116.90000
   51    47    48    37.50000  110.70000
   51    47    49    70.00000  112.02700
   51    79    80    37.50000  110.70000
   51    54    56    65.00000  116.34900
   51    54    58    70.00000  124.00000
   54    51    52    35.00000  109.50000
   54    56    57    80.00000  123.72100
   54    56    67    90.00000  111.29400
   54    58    59    35.00000  120.00000
   54    58    60    35.00000  120.00000
   67    79    80    35.00000  109.50000
   67    79    51    50.00000  109.50000
   67    56    57    83.00000  123.40000
   58    54    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   74    55    65    80.00000  120.01400
   74    70    71    50.00000  109.50000
   75    70    71    58.35000  112.70000
   75    70    74    50.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   61    53    55    70.00000  124.00000
   63    61    62    45.00000  125.66300
   64    61    62    45.00000  125.66300
   64    61    63    33.00000  107.80000
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    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    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    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.48150  1.0 1.0
   40    46    47    49   0.09250 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    51  -0.46850  1.0 1.0
   40    46    47    51   0.09300 -1.0 2.0
   40    46    47    51  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.00000  1.0 1.0
   46    47    49    53   0.39000  1.0 1.0
   46    47    49    53  -0.05800 -1.0 2.0
   46    47    49    53  -0.55150  1.0 3.0
   46    47    51    79   0.62750  1.0 1.0
   46    47    51    79  -0.30950 -1.0 2.0
   46    47    51    79   0.27300  1.0 3.0
   46    47    51    52   0.23400  1.0 3.0
   46    47    51    54   0.61850  1.0 1.0
   46    47    51    54  -0.22750 -1.0 2.0
   46    47    51    54   0.15300  1.0 3.0
   47    49    53    55   7.00000 -1.0 2.0
   47    49    53    61   7.00000 -1.0 2.0
   47    51    54    56   0.09700  1.0 1.0
   47    51    54    56   0.15600 -1.0 2.0
   47    51    54    56  -0.50800  1.0 3.0
   47    51    54    58   0.09850  1.0 1.0
   47    51    54    58   0.15250 -1.0 2.0
   47    51    54    58  -0.50650  1.0 3.0
   48    47    49    50   0.33100  1.0 3.0
   48    47    49    53   0.00000  1.0 1.0
   48    47    51    79   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    54   0.15000  1.0 3.0
   49    47    51    79   0.34400  1.0 1.0
   49    47    51    79   0.09450 -1.0 2.0
   49    47    51    79   0.11100  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    54   0.31000  1.0 1.0
   49    47    51    54   0.14700 -1.0 2.0
   49    47    51    54   0.07550  1.0 3.0
   49    53    55    65   0.28850  1.0 1.0
   49    53    55    65   2.61350 -1.0 2.0
   49    53    55    65   0.78400  1.0 3.0
   49    53    55    74  -0.51250  1.0 1.0
   49    53    55    74   1.23350 -1.0 2.0
   49    53    61    62   0.39000  1.0 1.0
   49    53    61    62  -0.05800 -1.0 2.0
   49    53    61    62  -0.55150  1.0 3.0
   49    53    61    63   0.00000  1.0 1.0
   49    53    61    64   0.00000  1.0 1.0
   50    49    53    55   7.00000 -1.0 2.0
   50    49    53    61   7.00000 -1.0 2.0
   53    55    65    66   7.00000 -1.0 2.0
   53    55    65    68   7.00000 -1.0 2.0
   53    55    74    70  -2.26850  1.0 1.0
   53    55    74    70   3.39050 -1.0 2.0
   55    53    61    62   0.39000  1.0 1.0
   55    53    61    62  -0.05800 -1.0 2.0
   55    53    61    62  -0.55150  1.0 3.0
   55    53    61    63   0.00000  1.0 1.0
   55    53    61    64   0.00000  1.0 1.0
   55    65    68    69   1.00000 -1.0 2.0
   55    65   -68    70  -0.33500  1.0 1.0
   55    65   -68    70   1.06600 -1.0 2.0
   55    65   -68    70  -0.14000  1.0 3.0
   65    55   -74    70  -2.26850  1.0 1.0
   65    55   -74    70   3.39050 -1.0 2.0
   65    68    70    71   0.65300  1.0 1.0
   65    68    70    71  -0.03850 -1.0 2.0
   65    68    70    71   0.33900  1.0 3.0
   65    68   -70    74   0.65300  1.0 1.0
   65    68   -70    74  -0.03850 -1.0 2.0
   65    68   -70    74   0.33900  1.0 3.0
   65    68    70    75   0.65300  1.0 1.0
   65    68    70    75  -0.03850 -1.0 2.0
   65    68    70    75   0.33900  1.0 3.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.04550  1.0 1.0
   66    65    68    70   0.83000 -1.0 2.0
   66    65    68    70  -0.04000  1.0 3.0
   68    70    71    72  -0.11250  1.0 3.0
   68    70    71    73  -0.11250  1.0 3.0
   68    70    71    79  -0.95700  1.0 1.0
   68    70    71    79  -0.18200 -1.0 2.0
   68    70    71    79   0.29450  1.0 3.0
   68    70   -74    55  -0.48150  1.0 1.0
   68    70   -74    55   0.09250 -1.0 2.0
   68    70   -74    55  -0.12850  1.0 3.0
   68    70    75    76  -0.11250  1.0 3.0
   68    70    75    77  -0.11250  1.0 3.0
   68    70    75    78  -0.11250  1.0 3.0
   69    68    70    71   0.30150 -1.0 2.0
   69    68    70    74   0.30150 -1.0 2.0
   69    68    70    75   0.30150 -1.0 2.0
   70    71    79    80   0.15000  1.0 3.0
   70    71    79    51   0.56750  1.0 1.0
   70    71    79    51  -0.07550 -1.0 2.0
   70    71    79    51   0.20000  1.0 3.0
   70    71    79    67   0.62750  1.0 1.0
   70    71    79    67  -0.30950 -1.0 2.0
   70    71    79    67   0.27300  1.0 3.0
   71    70    74    55  -0.46850  1.0 1.0
   71    70    74    55   0.09300 -1.0 2.0
   71    70    74    55  -0.12850  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.15000  1.0 3.0
   71    79    51    47   0.56750  1.0 1.0
   71    79    51    47  -0.07550 -1.0 2.0
   71    79    51    47   0.20000  1.0 3.0
   71    79    51    52   0.15000  1.0 3.0
   71    79    51    54   0.34400  1.0 1.0
   71    79    51    54   0.09450 -1.0 2.0
   71    79    51    54   0.11100  1.0 3.0
   71    79    67    56  -0.25900  1.0 1.0
   71    79    67    56  -0.47000 -1.0 2.0
   71    79    67    56   0.11750  1.0 3.0
   72    71    79    80   0.15000  1.0 3.0
   72    71    79    51   0.15000  1.0 3.0
   72    71    79    67   0.23400  1.0 3.0
   73    71    79    80   0.15000  1.0 3.0
   73    71    79    51   0.15000  1.0 3.0
   73    71    79    67   0.23400  1.0 3.0
   79    51   -54    56   0.09700  1.0 1.0
   79    51   -54    56   0.15600 -1.0 2.0
   79    51   -54    56  -0.50800  1.0 3.0
   79    51    54    58   0.09850  1.0 1.0
   79    51    54    58   0.15250 -1.0 2.0
   79    51    54    58  -0.50650  1.0 3.0
   80    79    51    47   0.15000  1.0 3.0
   80    79    51    52   0.15000  1.0 3.0
   80    79    51    54   0.15000  1.0 3.0
   80    79    67    56   0.08050  1.0 3.0
   51    47    49    50   0.00000  1.0 1.0
   51    47    49    53   0.09850  1.0 1.0
   51    47    49    53   0.15250 -1.0 2.0
   51    47    49    53  -0.50650  1.0 3.0
   51    79   -67    56  -0.25900  1.0 1.0
   51    79   -67    56  -0.47000 -1.0 2.0
   51    79   -67    56   0.11750  1.0 3.0
   51    54    56    57  -0.64400  1.0 1.0
   51    54    56    57   0.26850 -1.0 2.0
   51    54   -56    67  -0.15000  1.0 1.0
   51    54   -56    67   0.89550 -1.0 2.0
   51    54   -56    67  -0.06900  1.0 3.0
   51    54    58    59   7.00000 -1.0 2.0
   51    54    58    60   7.00000 -1.0 2.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    58   0.00000  1.0 1.0
   54    56   -67    79   2.00000 -1.0 2.0
   56    54    58    59   7.00000 -1.0 2.0
   56    54    58    60   7.00000 -1.0 2.0
   57    56    67    79   3.00000 -1.0 2.0
   67    79    51    47   0.62750  1.0 1.0
   67    79    51    47  -0.30950 -1.0 2.0
   67    79    51    47   0.27300  1.0 3.0
   67    79    51    52   0.23400  1.0 3.0
   67    79   -51    54   0.61850  1.0 1.0
   67    79   -51    54  -0.22750 -1.0 2.0
   67    79   -51    54   0.15300  1.0 3.0
   58    54    56    57   1.00000 -1.0 2.0
   58    54    56    67  -0.56150  1.0 1.0
   58    54    56    67   2.19150 -1.0 2.0
   74    55    65    66   7.00000 -1.0 2.0
   74    55   -65    68   7.00000 -1.0 2.0
   74    70    71    72   0.23400  1.0 3.0
   74    70    71    73   0.23400  1.0 3.0
   74    70    71    79   0.62750  1.0 1.0
   74    70    71    79  -0.30950 -1.0 2.0
   74    70    71    79   0.27300  1.0 3.0
   74    70    75    76   0.23400  1.0 3.0
   74    70    75    77   0.23400  1.0 3.0
   74    70    75    78   0.23400  1.0 3.0
   75    70    71    72   0.15000  1.0 3.0
   75    70    71    73   0.15000  1.0 3.0
   75    70    71    79   0.56750  1.0 1.0
   75    70    71    79  -0.07550 -1.0 2.0
   75    70    71    79   0.20000  1.0 3.0
   75    70    74    55  -0.46850  1.0 1.0
   75    70    74    55   0.09300 -1.0 2.0
   75    70    74    55  -0.12850  1.0 3.0
   61    53    55    65  -0.18600  1.0 3.0
   61    53    55    74   1.08500 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   7.00000 -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    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   47    50    49    53   1.10000 -1.0 2.0
   55    61    53    49   1.10000 -1.0 2.0
   53    74    55    65   1.10000 -1.0 2.0
   68    66    65    55   1.10000 -1.0 2.0
   65    70    68    69  10.50000 -1.0 2.0
   51    56    54    58   1.10000 -1.0 2.0
   54    67    56    57  10.50000 -1.0 2.0
   59    60    58    54   1.10000 -1.0 2.0
END
