* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    152    252     457
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02077   104.80195   -32.85551
    3     1 S   H    _H1_     3     1.02082    67.45155    71.64634
    4     1 S   H    _H2_     4     1.02130    45.37083  -134.63845
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.84873    97.31714   161.84715
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C19    37     1.51129   106.89764   -80.02741
   38    33 S   CT   _C17    69     1.54960   113.64778   158.53021
   39    38 S   HC   _H4_    70     1.09795   108.78954  -167.72292
   40    33 S   OH   _O37    82     1.43081   109.40222    38.28668
   41    40 S   HO   _H16    83     0.96765   106.18644   -56.81254
   42    37 S   CMA  _C21    38     1.49429   116.83688   -78.65585
   43    42 S   OM   _O34    39     1.22932   121.08604   136.22041
   44    38 S   NP   _N5_    71     1.49598   109.48072   -54.72584
   45    44 S   H    _H17    72     1.02141   110.27437   -11.71970
   46    44 S   H    _H18    73     1.02083   110.26203  -131.68013
   47    44 S   H    _H19    74     1.02087   110.31343   108.24526
   48    37 S   C    _C20    77     1.34146   127.02099   103.07893
   49    48 S   O    _O33    78     1.26188   130.15075    -1.71988
   50    42 S   CT   _C22    40     1.52549   116.00558   -45.89646
   51    48 S   N    _N4_    79     1.37437   120.11734   178.20104
   52    51 S   H    _H13    80     1.01263   119.37699     0.12033
   53    51 S   H    _H14    81     1.01263   120.23718   180.00000
   54    50 S   CO4  _C23    41     1.52706   112.40588   -77.92361
   55    54 S   O    _O35    42     1.22857   119.91721   -27.94977
   56    50 S   OH   _O36    75     1.42485   107.39137   167.14282
   57    56 S   HO   _H15    76     0.96939   106.61463    59.83354
   58    54 S   CA   _C13    43     1.48746   118.57058   154.17821
   59    58 S   CA   _C14    44     1.39782   120.33488    -2.00360
   60    58 S   CA   _C12    55     1.40079   119.31817   178.50106
   61    59 S   CA   _C5_    45     1.40269   119.03787   179.33177
   62    60 S   OH   _O38    56     1.36842   119.64403     0.05595
   63    62 S   HO   _H20    57     0.96841   109.86311     0.00000
   64    59 S   CT   _C15    64     1.50357   121.56588     1.75413
   65    64 S   HC   _H11    65     1.09851   107.60783    92.34087
   66    64 S   HC   _H12    66     1.09432   111.91514  -151.82956
   67    61 S   CA   _C6_    46     1.40461   121.29724     1.15199
   68    61 S   CT   _C4_    60     1.50322   119.13520  -178.20507
   69    68 S   HC   _H5_    61     1.09242   109.76221   -90.63656
   70    68 S   HC   _H6_    62     1.09284   110.71990    29.89930
   71    68 S   HC   _H7_    63     1.09357   110.66353   148.89094
   72    50 S   CT   _C16    67     1.54100   110.45750    48.50887
   73    72 S   HC   _H3_    68     1.10014   108.28637    65.34386
   74    67 S   CA   _C7_    47     1.40521   121.41684   179.60287
   75    74 S   HA   _H8_    48     1.08766   121.67181    -0.13706
   76    74 S   CA   _C8_    49     1.39444   120.69552  -179.97202
   77    76 S   HA   _H9_    50     1.08657   119.96189   179.83807
   78    76 S   CA   _C9_    51     1.39058   120.04251    -0.05935
   79    78 S   HA   _H10    52     1.08686   119.51470  -179.98022
   80    78 S   CA   _C10    53     1.39515   119.99302    -0.04846
   81    67 S   CA   _C11    54     1.41266   119.27784    -0.49575
   82    80 S   OH   _O39    58     1.36594   116.14597  -179.88809
   83    82 S   HO   _H21    59     0.96949   110.01336    -0.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   2   1   1  16  18   9   5   1  13   5   7   3   2   1   5
   3  12   2   1   1  12   5   5   1  13  15  10  14   4   1   6
   3   2  12   5   2   1   1   1   1   7   4   6   3   5   3   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    72    38    39    44    48    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    50    64    72    73    38    39    44    45    46    47    48    49    51    40    41  
   35    36  
   36  
    0  
   42    43    50    54    72    38    39    44    56    48    49    51    52    53    40    41  
   39    44    45    46    47    56    48    40    41    42    50    54    59    64    65    66    72    73  
   44    45    46    47    40    50    64    72    73  
   41    42    44    48    72  
    0  
   43    50    54    55    58    64    72    73    56    57    48    49    51  
   50    54    72    56    48  
   45    46    47    50    64    72    73  
   46    47    72  
   47    72  
   72  
   49    51    52    53    50  
   51    52    53  
   54    55    58    59    60    64    65    66    72    73    56    57  
   52    53  
   53  
    0  
   55    58    59    61    81    60    62    64    72    73    56    57  
   58    59    60    72    56  
   57    58    64    72    73  
   72  
   59    61    67    80    81    60    62    63    68    64    65    66    72  
   61    67    74    81    60    62    68    69    70    71    64    65    66    72    73  
   62    63    82    64    61    67    74    78    80    81  
   67    74    75    76    80    81    68    69    70    71    64    65    66    72  
   63    67    80    81  
   81  
   65    66    72    73    67    68  
   66    72    73  
   72    73  
   74    75    76    77    78    80    81    82    68    69    70    71  
   69    70    71    74    81  
   70    71  
   71  
    0  
   73  
    0  
   75    76    77    78    79    80    81  
   76    77    78    81  
   77    78    79    80    81    82  
   78    79    80  
   79    80    81    82    83  
   80    81    82  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    40   320.000  1.410
   37    42   465.000  1.376
   37    48   410.000  1.444
   42    43   745.000  1.250
   42    50   270.000  1.512
   50    54   317.000  1.522
   50    72   268.000  1.529
   50    56   320.000  1.410
   54    55   570.000  1.229
   54    58   310.000  1.470
   58    59   469.000  1.400
   58    60   469.000  1.400
   59    61   469.000  1.400
   59    64   317.000  1.510
   61    67   469.000  1.400
   61    68   317.000  1.510
   67    74   469.000  1.400
   67    81   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   469.000  1.400
   80    82   450.000  1.364
   81    60   469.000  1.400
   60    62   450.000  1.364
   62    63   553.000  0.945
   82    83   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    38   268.000  1.529
   38    39   340.000  1.090
   38    44   367.000  1.471
   44    45   434.000  1.010
   44    46   434.000  1.010
   44    47   434.000  1.010
   56    57   553.000  0.945
   48    49   570.000  1.229
   48    51   490.000  1.335
   51    52   434.000  1.010
   51    53   434.000  1.010
   40    41   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    48    70.00000  119.70000
   33    38    72    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    44    80.00000  111.20000
   33    40    41    55.00000  108.50000
   37    42    43    65.00000  137.10300
   37    42    50    65.00000  122.18000
   37    48    49    80.00000  125.30000
   37    48    51    80.00000  111.56200
   42    50    54    70.00000  109.06800
   42    50    72    70.00000  112.02700
   42    50    56    90.00000  110.39200
   50    42    43    85.00000  112.85300
   50    54    55    80.00000  120.40000
   50    54    58    65.00000  115.47100
   50    72    64    58.35000  112.70000
   50    72    73    37.50000  110.70000
   50    72    38    58.35000  112.70000
   50    56    57    55.00000  108.50000
   54    58    59    60.00000  119.52600
   54    58    60    60.00000  119.52600
   58    54    55    75.00000  123.78400
   58    59    61    63.00000  120.00000
   58    59    64    70.00000  120.00000
   58    60    81    63.00000  120.00000
   58    60    62    70.00000  120.00000
   59    61    67    63.00000  120.00000
   59    61    68    70.00000  120.00000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    72    70.00000  112.17500
   61    67    74    63.00000  120.00000
   61    67    81    63.00000  120.00000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   67    74    75    35.00000  120.00000
   67    74    76    63.00000  120.00000
   67    81    80    63.00000  120.00000
   67    81    60    63.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    63.00000  120.00000
   78    80    82    70.00000  120.00000
   80    78    79    35.00000  120.00000
   80    81    60    63.00000  120.00000
   80    82    83    35.00000  113.00000
   81    67    74    63.00000  120.00000
   81    60    62    70.00000  120.00000
   60    58    59    63.00000  120.00000
   60    62    63    35.00000  113.00000
   82    80    81    70.00000  120.00000
   68    61    67    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   64    59    61    70.00000  120.00000
   64    72    73    37.50000  110.70000
   64    72    38    58.35000  112.70000
   66    64    65    33.00000  107.80000
   72    50    54    63.00000  111.10000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    38    39    37.50000  110.70000
   72    38    44    80.00000  111.20000
   38    33    37    70.00000  112.02700
   38    72    73    37.50000  110.70000
   38    44    45    35.00000  109.50000
   38    44    46    35.00000  109.50000
   38    44    47    35.00000  109.50000
   44    38    39    35.00000  109.50000
   46    44    45    35.00000  109.50000
   47    44    45    35.00000  109.50000
   47    44    46    35.00000  109.50000
   56    50    54    90.00000  109.61100
   56    50    72    50.00000  109.50000
   48    37    42    60.00000  120.04000
   48    51    52    35.00000  119.80000
   48    51    53    35.00000  119.80000
   51    48    49    80.00000  122.90000
   53    51    52    35.00000  120.00000
   40    33    37    90.00000  110.39200
   40    33    38    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    48   0.09700  1.0 1.0
   29    33    37    48   0.15600 -1.0 2.0
   29    33    37    48  -0.50800  1.0 3.0
   29    33    38    72   0.44750  1.0 1.0
   29    33    38    72  -0.17800 -1.0 2.0
   29    33    38    72   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    50   7.00000 -1.0 2.0
   33    37    48    49  -0.64400  1.0 1.0
   33    37    48    49   0.26850 -1.0 2.0
   33    37    48    51   1.59650  1.0 1.0
   33    37    48    51   0.42750 -1.0 2.0
   33    37    48    51  -0.48350  1.0 3.0
   33    38    44    45   0.17350  1.0 3.0
   33    38    44    46   0.17350  1.0 3.0
   33    38    44    47   0.17350  1.0 3.0
   37    33    38    72   0.34400  1.0 1.0
   37    33    38    72   0.09450 -1.0 2.0
   37    33    38    72   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    44  -0.47300  1.0 1.0
   37    33    38    44   0.29700 -1.0 2.0
   37    33    38    44   0.83300  1.0 3.0
   37    33    40    41  -0.07800  1.0 1.0
   37    33    40    41  -0.21500 -1.0 2.0
   37    33    40    41  -0.03150  1.0 3.0
   37    42    50    54  -0.51250  1.0 1.0
   37    42    50    54  -0.88800 -1.0 2.0
   37    42    50    54   0.08850  1.0 3.0
   37    42   -50    72   0.09850  1.0 1.0
   37    42   -50    72   0.15250 -1.0 2.0
   37    42   -50    72  -0.50650  1.0 3.0
   37    42    50    56   0.67800  1.0 1.0
   37    42    50    56   0.47050 -1.0 2.0
   37    42    50    56  -0.62500  1.0 3.0
   37    48    51    52   2.56700 -1.0 2.0
   37    48    51    53   2.56700 -1.0 2.0
   42    37    48    49   1.00000 -1.0 2.0
   42    37    48    51   0.49500  1.0 1.0
   42    37    48    51   1.31600 -1.0 2.0
   42    37    48    51  -0.02300  1.0 3.0
   42    50    54    55   0.30150 -1.0 2.0
   42    50    54    58   0.65300  1.0 1.0
   42    50    54    58  -0.03850 -1.0 2.0
   42    50    54    58   0.33900  1.0 3.0
   42    50    72    64   0.34400  1.0 1.0
   42    50    72    64   0.09450 -1.0 2.0
   42    50    72    64   0.11100  1.0 3.0
   42    50    72    73   0.15000  1.0 3.0
   42    50    72    38   0.34400  1.0 1.0
   42    50    72    38   0.09450 -1.0 2.0
   42    50    72    38   0.11100  1.0 3.0
   42    50    56    57  -0.07800  1.0 1.0
   42    50    56    57  -0.21500 -1.0 2.0
   42    50    56    57  -0.03150  1.0 3.0
   43    42    50    54   0.09700  1.0 1.0
   43    42    50    54   0.15600 -1.0 2.0
   43    42    50    54  -0.50800  1.0 3.0
   43    42    50    72   0.09700  1.0 1.0
   43    42    50    72   0.15600 -1.0 2.0
   43    42    50    72  -0.50800  1.0 3.0
   43    42    50    56   0.09700  1.0 1.0
   43    42    50    56   0.15600 -1.0 2.0
   43    42    50    56  -0.50800  1.0 3.0
   50    54    58    59   2.26350  1.0 1.0
   50    54    58    59   0.76750 -1.0 2.0
   50    54    58    59   0.22500  1.0 3.0
   50    54    58    60   2.26350  1.0 1.0
   50    54    58    60   0.76750 -1.0 2.0
   50    54    58    60   0.22500  1.0 3.0
   50    72   -38    33   0.56750  1.0 1.0
   50    72   -38    33  -0.07550 -1.0 2.0
   50    72   -38    33   0.20000  1.0 3.0
   50    72    38    39   0.15000  1.0 3.0
   50    72    38    44   1.36600  1.0 1.0
   50    72    38    44  -0.11450 -1.0 2.0
   50    72    38    44   0.24250  1.0 3.0
   54    50    72    64  -0.95700  1.0 1.0
   54    50    72    64  -0.18200 -1.0 2.0
   54    50    72    64   0.29450  1.0 3.0
   54    50    72    73  -0.11250  1.0 3.0
   54    50    72    38  -0.95700  1.0 1.0
   54    50    72    38  -0.18200 -1.0 2.0
   54    50    72    38   0.29450  1.0 3.0
   54    50    56    57   0.91850  1.0 1.0
   54    50    56    57   0.57950  1.0 3.0
   54    58    59    61   3.62500 -1.0 2.0
   54    58   -59    64   3.62500 -1.0 2.0
   54    58    60    81   3.62500 -1.0 2.0
   54    58    60    62   3.62500 -1.0 2.0
   55    54    58    59   1.05000 -1.0 2.0
   55    54    58    60   1.05000 -1.0 2.0
   58    59    61    67   3.62500 -1.0 2.0
   58    59    61    68   3.62500 -1.0 2.0
   58    59    64    65   0.00000  1.0 1.0
   58    59    64    66   0.00000  1.0 1.0
   58    59    64    72   0.04150 -1.0 2.0
   58    60    62    63   0.84100 -1.0 2.0
   59    58    60    81   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   59    61    67    74   3.62500 -1.0 2.0
   59    61   -67    81   3.62500 -1.0 2.0
   59    61    68    69   0.00000  1.0 1.0
   59    61    68    70   0.00000  1.0 1.0
   59    61    68    71   0.00000  1.0 1.0
   59    64   -72    50  -0.03700  1.0 1.0
   59    64   -72    50   0.37200 -1.0 2.0
   59    64   -72    50  -0.47300  1.0 3.0
   59    64    72    73   0.43200  1.0 3.0
   59    64    72    38  -0.03700  1.0 1.0
   59    64    72    38   0.37200 -1.0 2.0
   59    64    72    38  -0.47300  1.0 3.0
   61    59    64    65   0.00000  1.0 1.0
   61    59    64    66   0.00000  1.0 1.0
   61    59    64    72   0.04150 -1.0 2.0
   61    67    74    75   3.62500 -1.0 2.0
   61    67    74    76   3.62500 -1.0 2.0
   61    67    81    80   3.62500 -1.0 2.0
   61    67    81    60   3.62500 -1.0 2.0
   67    61    68    69   0.00000  1.0 1.0
   67    61    68    70   0.00000  1.0 1.0
   67    61    68    71   0.00000  1.0 1.0
   67    74    76    77   3.62500 -1.0 2.0
   67    74    76    78   3.62500 -1.0 2.0
   67    81   -60    58   3.62500 -1.0 2.0
   67    81    60    62   3.62500 -1.0 2.0
   74    67    81    80   3.62500 -1.0 2.0
   74    67    81    60   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   74    76   -78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   76    78    80    82   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   78    80   -81    67   3.62500 -1.0 2.0
   78    80    81    60   3.62500 -1.0 2.0
   78    80    82    83   0.84100 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    81    60    58   3.62500 -1.0 2.0
   80    81    60    62   3.62500 -1.0 2.0
   81    67    74    75   3.62500 -1.0 2.0
   81    67   -74    76   3.62500 -1.0 2.0
   81    80    82    83   0.84100 -1.0 2.0
   81    60    62    63   0.84100 -1.0 2.0
   60    58   -59    61   3.62500 -1.0 2.0
   60    58    59    64   3.62500 -1.0 2.0
   82    80    81    67   3.62500 -1.0 2.0
   82    80    81    60   3.62500 -1.0 2.0
   68    61    67    74   3.62500 -1.0 2.0
   68    61    67    81   3.62500 -1.0 2.0
   64    59    61    67   3.62500 -1.0 2.0
   64    59    61    68   3.62500 -1.0 2.0
   64    72    38    33   0.56750  1.0 1.0
   64    72    38    33  -0.07550 -1.0 2.0
   64    72    38    33   0.20000  1.0 3.0
   64    72    38    39   0.15000  1.0 3.0
   64    72    38    44   1.36600  1.0 1.0
   64    72    38    44  -0.11450 -1.0 2.0
   64    72    38    44   0.24250  1.0 3.0
   65    64    72    50   0.15000  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    38   0.15000  1.0 3.0
   66    64    72    50   0.15000  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    38   0.15000  1.0 3.0
   72    50    54    55   0.30150 -1.0 2.0
   72    50   -54    58   0.05850 -1.0 2.0
   72    50   -54    58   0.17250  1.0 3.0
   72    50    56    57  -0.11600  1.0 1.0
   72    50    56    57  -0.09450 -1.0 2.0
   72    50    56    57   0.21250  1.0 3.0
   72    38    44    45   0.17350  1.0 3.0
   72    38    44    46   0.17350  1.0 3.0
   72    38    44    47   0.17350  1.0 3.0
   73    72    38    33   0.15000  1.0 3.0
   73    72    38    39   0.15000  1.0 3.0
   73    72    38    44   0.19200  1.0 3.0
   38    33   -37    42   0.09850  1.0 1.0
   38    33   -37    42   0.15250 -1.0 2.0
   38    33   -37    42  -0.50650  1.0 3.0
   38    33    37    48   0.09700  1.0 1.0
   38    33    37    48   0.15600 -1.0 2.0
   38    33    37    48  -0.50800  1.0 3.0
   38    33    40    41  -0.11600  1.0 1.0
   38    33    40    41  -0.09450 -1.0 2.0
   38    33    40    41   0.21250  1.0 3.0
   39    38    44    45   0.13050  1.0 3.0
   39    38    44    46   0.13050  1.0 3.0
   39    38    44    47   0.13050  1.0 3.0
   56    50    54    55   0.30150 -1.0 2.0
   56    50    54    58   0.65300  1.0 1.0
   56    50    54    58  -0.03850 -1.0 2.0
   56    50    54    58   0.33900  1.0 3.0
   56    50    72    64   0.86500  1.0 1.0
   56    50    72    64  -0.17500 -1.0 2.0
   56    50    72    64   0.20800  1.0 3.0
   56    50    72    73   0.23400  1.0 3.0
   56    50    72    38   0.86500  1.0 1.0
   56    50    72    38  -0.17500 -1.0 2.0
   56    50    72    38   0.20800  1.0 3.0
   48    37    42    43   7.00000 -1.0 2.0
   48    37    42    50   7.00000 -1.0 2.0
   49    48    51    52   2.45000 -1.0 2.0
   49    48    51    53   2.45000 -1.0 2.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    48   0.09700  1.0 1.0
   40    33    37    48   0.15600 -1.0 2.0
   40    33    37    48  -0.50800  1.0 3.0
   40    33    38    72   0.86500  1.0 1.0
   40    33    38    72  -0.17500 -1.0 2.0
   40    33    38    72   0.20800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    44   1.69300  1.0 1.0
   40    33    38    44  -0.48450 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    48    37    42   1.10000 -1.0 2.0
   50    43    42    37   1.10000 -1.0 2.0
   50    58    54    55  10.50000 -1.0 2.0
   59    60    58    54   4.00000 -1.0 2.0
   61    64    59    58   4.00000 -1.0 2.0
   67    68    61    59   4.00000 -1.0 2.0
   74    81    67    61   4.00000 -1.0 2.0
   76    75    74    67   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   81    82    80    78   4.00000 -1.0 2.0
   80    60    81    67   4.00000 -1.0 2.0
   81    62    60    58   4.00000 -1.0 2.0
   37    51    48    49  10.50000 -1.0 2.0
   53    48    51    52   1.00000 -1.0 2.0
END
