* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    150    243     446
    1     0 S   NP   _N1_     1    28.29532    97.98252   -20.65954
    2     1 S   H    _HN1     2     1.02836    45.98596   135.80488
    3     1 S   H    _H1_     3     1.02780    98.29939  -117.31052
    4     1 S   H    _H2_     4     1.02955    67.74305   -10.81176
    5     1 S   CT   _CA1     5     1.50141   147.45036    82.58381
    6     5 S   HC   _HA1     6     1.09565   105.19630    97.21218
    7     5 S   CO3  _C1_     7     1.53737   112.49728   -23.03297
    8     7 S   O2Z  _O11     8     1.26390   115.05306   -39.61487
    9     7 S   O2Z  _O12     9     1.26226   115.02508   139.59635
   10     5 S   CT   _CB1    10     1.53092   107.43987  -144.69322
   11    10 S   HC   HB11    11     1.09833   109.39006   -48.56841
   12    10 S   HC   HB12    12     1.09818   110.36334    67.99774
   13    10 S   CT   _CG1    13     1.53059   112.76943  -169.55432
   14    13 S   HC   HG11    14     1.09583   110.63998   -65.38552
   15    13 S   HC   HG12    15     1.09655   109.83392    53.88249
   16    13 S   C    _CD1    16     1.51855   112.13990   174.39954
   17    16 S   O    _OE1    17     1.22762   123.20903     7.00384
   18    16 S   N    _N2_    18     1.38504   111.81776  -173.48976
   19    18 S   H    _HN2    19     1.01546   119.16958     4.39490
   20    18 S   CT1  _CA2    20     1.45952   122.88145   178.66192
   21    20 S   HC   _HA2    21     1.09728   108.86554    25.67621
   22    20 S   C    _C2_    22     1.52910   107.01932   -91.44977
   23    22 S   O    _O2_    23     1.22992   123.03690   -27.00844
   24    20 S   CT   _CB2    32     1.53194   112.01511   148.79839
   25    24 S   HC   HB21    33     1.09418   109.59757    57.07447
   26    24 S   HC   HB22    34     1.09543   110.26705   175.25451
   27    22 S   N    _N3_    24     1.38501   112.60011   155.54632
   28    27 S   H    _HN3    25     1.01658   120.33853    -1.58721
   29    24 S   S    _SG2    35     1.83320   110.39973   -65.53868
   30    27 S   CT   _CA3    26     1.45349   122.42915   178.71336
   31    30 S   HC   HA31    27     1.09569   107.67287   -58.49226
   32    30 S   HC   HA32    28     1.09567   107.71917    57.80361
   33    29 S   CT   _C23    36     1.88626   102.29903   154.67040
   34    33 S   OM   _O38    37     1.32205   108.17584    51.27997
   35    30 S   CO3  _C3_    29     1.52879   114.40752   179.65850
   36    35 S   O2Z  _O31    30     1.26326   116.10476    -0.98238
   37    35 S   O2Z  _O32    31     1.26451   114.39508   179.04039
   38    33 S   CM   _C6_    38     1.53792   107.04678   168.12190
   39    33 S   CT   _C22    68     1.57913   109.12273   -69.14410
   40    39 S   HC   _H4_    69     1.09726   110.05916    28.04000
   41    38 S   CMA  _C7_    39     1.36278   127.39431   120.25704
   42    41 S   OM   _O41    40     1.26674   130.04973   178.13030
   43    39 S   OS   _O39    70     1.44800   110.94172   146.16798
   44    38 S   CO4  _C5_    77     1.50988   118.40414   -60.33867
   45    44 S   O    _O33    78     1.23075   121.01791    91.45476
   46    41 S   CT   _C8_    41     1.54201   117.85781    -0.10653
   47    43 S   CT   _C24    71     1.42067   113.52802  -146.18280
   48    47 S   HC   _H16    72     1.09329   108.21114  -178.13386
   49    47 S   HC   _H17    73     1.09428   110.26763    63.47453
   50    47 S   HC   _H18    74     1.09310   111.32432   -59.01513
   51    44 S   CT   _C4_    79     1.50770   117.51560   -88.15987
   52    51 S   HC   _H5_    80     1.09286   109.37103   110.34505
   53    51 S   HC   _H6_    81     1.09345   111.31998   -10.39283
   54    51 S   HC   _H7_    82     1.09354   109.00641  -129.42138
   55    46 S   CO4  _C21    42     1.55238   115.93839  -153.12531
   56    55 S   O    _O34    43     1.23208   121.73316   -88.51615
   57    46 S   OH   _O40    75     1.44182   107.29081    92.97694
   58    57 S   HO   _H19    76     0.97364   106.45121    49.48113
   59    55 S   CA   _C20    44     1.49424   119.34592    91.76691
   60    59 S   CA   _C11    45     1.39581   118.93429    10.18107
   61    59 S   CA   _C19    56     1.41276   121.73016  -171.18818
   62    60 S   CA   _C12    46     1.40180   119.25645   179.68721
   63    62 S   HA   _H10    47     1.09051   118.60982   178.83551
   64    61 S   OH   _O35    57     1.37578   120.75952     1.51168
   65    64 S   HO   _H13    58     0.97304   109.36707    -0.11869
   66    60 S   CT   _C10    63     1.50343   122.46552    -3.60999
   67    66 S   HC   _H8_    64     1.09750   109.61718   146.61258
   68    66 S   HC   _H9_    65     1.09281   106.07434   -97.47219
   69    62 S   CA   _C13    48     1.40146   121.96121    -1.16617
   70    46 S   CT   _C9_    66     1.53965   113.50659   -26.72136
   71    70 S   HC   _H3_    67     1.09988   107.17767   170.51115
   72    69 S   CA   _C14    49     1.40440   119.27834  -179.53186
   73    72 S   HA   _H11    50     1.08761   119.94441    -0.02798
   74    72 S   CA   _C15    51     1.39012   120.69645   179.91607
   75    74 S   CA   _C16    52     1.38463   120.49446     0.14402
   76    75 S   HA   _H12    53     1.08617   119.82919   180.00000
   77    74 S   OH   _O37    61     1.36587   121.02195  -179.82983
   78    77 S   HO   _H15    62     0.97322   108.48892     0.81877
   79    75 S   CA   _C17    54     1.39847   119.22082    -0.03426
   80    69 S   CA   _C18    55     1.41538   120.14067     0.57878
   81    79 S   OH   _O36    59     1.37327   117.87153  -179.96044
   82    81 S   HO   _H14    60     0.97165   109.20332    -0.12033
  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   9   5   4   3
  15   7   2   1   1  15  17   6  13   5   8   6   4  12   4   2
   1   1   3   2   1   1  12   5   5   1  13  12  10  11   4   4
   1   5   3   2   8   1   1   8   4   7   7   4   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    70    39    40    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    46    66    70    71    39    40    43    47    44    45    51  
   38    41    70    39    40    43    44  
   36    37  
   37  
    0  
   41    42    46    55    70    39    40    43    57    44    45    51    52    53    54  
   40    43    47    48    49    50    57    44    41    46    55    60    66    67    68    70    71  
   43    47    46    66    70    71  
   42    46    55    56    59    66    70    71    57    58    44    45    51  
   46    55    70    57    44  
   47    48    49    50    46    66    70    71  
   45    51    52    53    54    46  
   51    52    53    54  
   55    56    59    60    61    66    67    68    70    71    57    58  
   48    49    50    70  
   49    50  
   50  
    0  
   52    53    54  
   53    54  
   54  
    0  
   56    59    60    62    80    61    64    66    70    71    57    58  
   59    60    61    70    57  
   58    59    66    70    71  
   70  
   60    62    63    69    79    80    61    64    65    66    67    68    70  
   62    63    69    72    80    61    64    66    67    68    70    71  
   64    65    81    66    62    69    72    75    79    80  
   63    69    72    73    74    79    80    66    67    68    70  
   69    72    80    66  
   65    69    79    80  
   80  
   67    68    70    71    69  
   68    70    71  
   70    71  
   72    73    74    75    79    80    81    77  
   71  
    0  
   73    74    75    76    79    80    77    78  
   74    75    80    77  
   75    76    79    80    81    77    78  
   76    79    80    81    82    77    78  
   79    80    81    77  
   78    79  
    0  
   80    81    82  
   81    82  
   82  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   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    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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    44   320.000  1.462
   41    42   745.000  1.250
   41    46   270.000  1.512
   46    55   317.000  1.522
   46    70   268.000  1.529
   46    57   320.000  1.410
   55    56   570.000  1.229
   55    59   310.000  1.470
   59    60   469.000  1.400
   59    61   469.000  1.400
   60    62   469.000  1.400
   60    66   317.000  1.510
   62    63   367.000  1.080
   62    69   469.000  1.400
   69    72   469.000  1.400
   69    80   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   469.000  1.400
   79    81   450.000  1.364
   80    61   469.000  1.400
   61    64   450.000  1.364
   64    65   553.000  0.945
   81    82   553.000  0.945
   77    78   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   268.000  1.529
   70    71   340.000  1.090
   70    39   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   57    58   553.000  0.945
   44    45   570.000  1.229
   44    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    44    65.00000  116.34900
   33    39    70    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    46    65.00000  122.18000
   38    44    45    80.00000  123.72100
   38    44    51    65.00000  118.62400
   41    46    55    70.00000  109.06800
   41    46    70    70.00000  112.02700
   41    46    57    90.00000  110.39200
   46    41    42    85.00000  112.85300
   46    55    56    80.00000  120.40000
   46    55    59    65.00000  115.47100
   46    70    66    58.35000  112.70000
   46    70    71    37.50000  110.70000
   46    70    39    58.35000  112.70000
   46    57    58    55.00000  108.50000
   55    59    60    60.00000  119.52600
   55    59    61    60.00000  119.52600
   59    55    56    75.00000  123.78400
   59    60    62    63.00000  120.00000
   59    60    66    70.00000  120.00000
   59    61    80    63.00000  120.00000
   59    61    64    70.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    69    63.00000  120.00000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    70    70.00000  112.17500
   62    69    72    63.00000  120.00000
   62    69    80    63.00000  120.00000
   69    62    63    35.00000  120.00000
   69    72    73    35.00000  120.00000
   69    72    74    63.00000  120.00000
   69    80    79    63.00000  120.00000
   69    80    61    63.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    77    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  120.00000
   74    75    79    63.00000  120.00000
   74    77    78    35.00000  113.00000
   75    79    80    63.00000  120.00000
   75    79    81    70.00000  120.00000
   79    75    76    35.00000  120.00000
   79    80    61    63.00000  120.00000
   79    81    82    35.00000  113.00000
   80    69    72    63.00000  120.00000
   80    61    64    70.00000  120.00000
   61    59    60    63.00000  120.00000
   61    64    65    35.00000  113.00000
   81    79    80    70.00000  120.00000
   77    74    75    70.00000  120.00000
   66    60    62    70.00000  120.00000
   66    70    71    37.50000  110.70000
   66    70    39    58.35000  112.70000
   68    66    67    33.00000  107.80000
   70    46    55    63.00000  111.10000
   70    66    67    37.50000  110.70000
   70    66    68    37.50000  110.70000
   70    39    40    37.50000  110.70000
   70    39    43    50.00000  109.50000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    70    71    37.50000  110.70000
   39    43    47    60.00000  109.50000
   43    39    40    35.00000  109.50000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   57    46    55    90.00000  109.61100
   57    46    70    50.00000  109.50000
   44    38    41    60.00000  125.92000
   44    51    52    35.00000  109.50000
   44    51    53    35.00000  109.50000
   44    51    54    35.00000  109.50000
   51    44    45    80.00000  120.40000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  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   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    44   0.09700  1.0 1.0
   29    33    38    44   0.15600 -1.0 2.0
   29    33    38    44  -0.50800  1.0 3.0
   29    33    39    70   0.44750  1.0 1.0
   29    33    39    70  -0.17800 -1.0 2.0
   29    33    39    70   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    46   7.00000 -1.0 2.0
   33    38    44    45  -0.64400  1.0 1.0
   33    38    44    45   0.26850 -1.0 2.0
   33    38    44    51   0.25700  1.0 1.0
   33    38    44    51   0.66200 -1.0 2.0
   33    38    44    51   0.04450  1.0 3.0
   33    39    43    47   0.06250  1.0 1.0
   33    39    43    47  -0.01100 -1.0 2.0
   33    39    43    47   0.28050  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    44   0.09700  1.0 1.0
   34    33    38    44   0.15600 -1.0 2.0
   34    33    38    44  -0.50800  1.0 3.0
   34    33    39    70   0.62750  1.0 1.0
   34    33    39    70  -0.30950 -1.0 2.0
   34    33    39    70   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.11900  1.0 1.0
   34    33    39    43  -1.16350 -1.0 2.0
   34    33    39    43  -0.34150  1.0 3.0
   38    33    39    70   0.34400  1.0 1.0
   38    33    39    70   0.09450 -1.0 2.0
   38    33    39    70   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.61850  1.0 1.0
   38    33    39    43  -0.22750 -1.0 2.0
   38    33    39    43   0.15300  1.0 3.0
   38    41    46    55  -0.51250  1.0 1.0
   38    41    46    55  -0.88800 -1.0 2.0
   38    41    46    55   0.08850  1.0 3.0
   38    41   -46    70   0.09850  1.0 1.0
   38    41   -46    70   0.15250 -1.0 2.0
   38    41   -46    70  -0.50650  1.0 3.0
   38    41    46    57   0.67800  1.0 1.0
   38    41    46    57   0.47050 -1.0 2.0
   38    41    46    57  -0.62500  1.0 3.0
   38    44    51    52   0.00000  1.0 1.0
   38    44    51    53   0.00000  1.0 1.0
   38    44    51    54   0.00000  1.0 1.0
   41    38    44    45   1.00000 -1.0 2.0
   41    38    44    51  -0.33500  1.0 1.0
   41    38    44    51   1.06600 -1.0 2.0
   41    38    44    51  -0.14000  1.0 3.0
   41    46    55    56   0.30150 -1.0 2.0
   41    46    55    59   0.65300  1.0 1.0
   41    46    55    59  -0.03850 -1.0 2.0
   41    46    55    59   0.33900  1.0 3.0
   41    46    70    66   0.34400  1.0 1.0
   41    46    70    66   0.09450 -1.0 2.0
   41    46    70    66   0.11100  1.0 3.0
   41    46    70    71   0.15000  1.0 3.0
   41    46    70    39   0.34400  1.0 1.0
   41    46    70    39   0.09450 -1.0 2.0
   41    46    70    39   0.11100  1.0 3.0
   41    46    57    58  -0.07800  1.0 1.0
   41    46    57    58  -0.21500 -1.0 2.0
   41    46    57    58  -0.03150  1.0 3.0
   42    41    46    55   0.09700  1.0 1.0
   42    41    46    55   0.15600 -1.0 2.0
   42    41    46    55  -0.50800  1.0 3.0
   42    41    46    70   0.09700  1.0 1.0
   42    41    46    70   0.15600 -1.0 2.0
   42    41    46    70  -0.50800  1.0 3.0
   42    41    46    57   0.09700  1.0 1.0
   42    41    46    57   0.15600 -1.0 2.0
   42    41    46    57  -0.50800  1.0 3.0
   46    55    59    60   2.26350  1.0 1.0
   46    55    59    60   0.76750 -1.0 2.0
   46    55    59    60   0.22500  1.0 3.0
   46    55    59    61   2.26350  1.0 1.0
   46    55    59    61   0.76750 -1.0 2.0
   46    55    59    61   0.22500  1.0 3.0
   46    70   -39    33   0.56750  1.0 1.0
   46    70   -39    33  -0.07550 -1.0 2.0
   46    70   -39    33   0.20000  1.0 3.0
   46    70    39    40   0.15000  1.0 3.0
   46    70    39    43   0.62750  1.0 1.0
   46    70    39    43  -0.30950 -1.0 2.0
   46    70    39    43   0.27300  1.0 3.0
   55    46    70    66  -0.95700  1.0 1.0
   55    46    70    66  -0.18200 -1.0 2.0
   55    46    70    66   0.29450  1.0 3.0
   55    46    70    71  -0.11250  1.0 3.0
   55    46    70    39  -0.95700  1.0 1.0
   55    46    70    39  -0.18200 -1.0 2.0
   55    46    70    39   0.29450  1.0 3.0
   55    46    57    58   0.91850  1.0 1.0
   55    46    57    58   0.57950  1.0 3.0
   55    59    60    62   3.62500 -1.0 2.0
   55    59   -60    66   3.62500 -1.0 2.0
   55    59    61    80   3.62500 -1.0 2.0
   55    59    61    64   3.62500 -1.0 2.0
   56    55    59    60   1.05000 -1.0 2.0
   56    55    59    61   1.05000 -1.0 2.0
   59    60    62    63   3.62500 -1.0 2.0
   59    60    62    69   3.62500 -1.0 2.0
   59    60    66    67   0.00000  1.0 1.0
   59    60    66    68   0.00000  1.0 1.0
   59    60    66    70   0.04150 -1.0 2.0
   59    61    64    65   0.84100 -1.0 2.0
   60    59    61    80   3.62500 -1.0 2.0
   60    59    61    64   3.62500 -1.0 2.0
   60    62    69    72   3.62500 -1.0 2.0
   60    62   -69    80   3.62500 -1.0 2.0
   60    66   -70    46  -0.03700  1.0 1.0
   60    66   -70    46   0.37200 -1.0 2.0
   60    66   -70    46  -0.47300  1.0 3.0
   60    66    70    71   0.43200  1.0 3.0
   60    66    70    39  -0.03700  1.0 1.0
   60    66    70    39   0.37200 -1.0 2.0
   60    66    70    39  -0.47300  1.0 3.0
   62    60    66    67   0.00000  1.0 1.0
   62    60    66    68   0.00000  1.0 1.0
   62    60    66    70   0.04150 -1.0 2.0
   62    69    72    73   3.62500 -1.0 2.0
   62    69    72    74   3.62500 -1.0 2.0
   62    69    80    79   3.62500 -1.0 2.0
   62    69    80    61   3.62500 -1.0 2.0
   63    62    69    72   3.62500 -1.0 2.0
   63    62    69    80   3.62500 -1.0 2.0
   69    72    74    75   3.62500 -1.0 2.0
   69    72    74    77   3.62500 -1.0 2.0
   69    80   -61    59   3.62500 -1.0 2.0
   69    80    61    64   3.62500 -1.0 2.0
   72    69    80    79   3.62500 -1.0 2.0
   72    69    80    61   3.62500 -1.0 2.0
   72    74    75    76   3.62500 -1.0 2.0
   72    74   -75    79   3.62500 -1.0 2.0
   72    74    77    78   0.84100 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    77   3.62500 -1.0 2.0
   74    75    79    80   3.62500 -1.0 2.0
   74    75    79    81   3.62500 -1.0 2.0
   75    74    77    78   0.84100 -1.0 2.0
   75    79   -80    69   3.62500 -1.0 2.0
   75    79    80    61   3.62500 -1.0 2.0
   75    79    81    82   0.84100 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   76    75    79    81   3.62500 -1.0 2.0
   79    80    61    59   3.62500 -1.0 2.0
   79    80    61    64   3.62500 -1.0 2.0
   80    69    72    73   3.62500 -1.0 2.0
   80    69   -72    74   3.62500 -1.0 2.0
   80    79    81    82   0.84100 -1.0 2.0
   80    61    64    65   0.84100 -1.0 2.0
   61    59   -60    62   3.62500 -1.0 2.0
   61    59    60    66   3.62500 -1.0 2.0
   81    79    80    69   3.62500 -1.0 2.0
   81    79    80    61   3.62500 -1.0 2.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    79   3.62500 -1.0 2.0
   66    60    62    63   3.62500 -1.0 2.0
   66    60    62    69   3.62500 -1.0 2.0
   66    70    39    33   0.56750  1.0 1.0
   66    70    39    33  -0.07550 -1.0 2.0
   66    70    39    33   0.20000  1.0 3.0
   66    70    39    40   0.15000  1.0 3.0
   66    70    39    43   0.62750  1.0 1.0
   66    70    39    43  -0.30950 -1.0 2.0
   66    70    39    43   0.27300  1.0 3.0
   67    66    70    46   0.15000  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    39   0.15000  1.0 3.0
   68    66    70    46   0.15000  1.0 3.0
   68    66    70    71   0.15000  1.0 3.0
   68    66    70    39   0.15000  1.0 3.0
   70    46    55    56   0.30150 -1.0 2.0
   70    46   -55    59   0.05850 -1.0 2.0
   70    46   -55    59   0.17250  1.0 3.0
   70    46    57    58  -0.11600  1.0 1.0
   70    46    57    58  -0.09450 -1.0 2.0
   70    46    57    58   0.21250  1.0 3.0
   70    39    43    47   0.06250  1.0 1.0
   70    39    43    47  -0.01100 -1.0 2.0
   70    39    43    47   0.28050  1.0 3.0
   71    70    39    33   0.15000  1.0 3.0
   71    70    39    40   0.15000  1.0 3.0
   71    70    39    43   0.23400  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    44   0.09700  1.0 1.0
   39    33    38    44   0.15600 -1.0 2.0
   39    33    38    44  -0.50800  1.0 3.0
   39    43    47    48   0.37050  1.0 3.0
   39    43    47    49   0.37050  1.0 3.0
   39    43    47    50   0.37050  1.0 3.0
   40    39    43    47   0.37050  1.0 3.0
   57    46    55    56   0.30150 -1.0 2.0
   57    46    55    59   0.65300  1.0 1.0
   57    46    55    59  -0.03850 -1.0 2.0
   57    46    55    59   0.33900  1.0 3.0
   57    46    70    66   0.86500  1.0 1.0
   57    46    70    66  -0.17500 -1.0 2.0
   57    46    70    66   0.20800  1.0 3.0
   57    46    70    71   0.23400  1.0 3.0
   57    46    70    39   0.86500  1.0 1.0
   57    46    70    39  -0.17500 -1.0 2.0
   57    46    70    39   0.20800  1.0 3.0
   44    38    41    42   7.00000 -1.0 2.0
   44    38    41    46   7.00000 -1.0 2.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   45    44    51    54   0.00000  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
   33    44    38    41   1.10000 -1.0 2.0
   46    42    41    38   1.10000 -1.0 2.0
   46    59    55    56  10.50000 -1.0 2.0
   60    61    59    55   4.00000 -1.0 2.0
   62    66    60    59   4.00000 -1.0 2.0
   69    63    62    60   1.10000 -1.0 2.0
   72    80    69    62   4.00000 -1.0 2.0
   74    73    72    69   1.10000 -1.0 2.0
   75    77    74    72   4.00000 -1.0 2.0
   79    76    75    74   1.10000 -1.0 2.0
   80    81    79    75   4.00000 -1.0 2.0
   79    61    80    69   4.00000 -1.0 2.0
   80    64    61    59   4.00000 -1.0 2.0
   38    51    44    45  10.50000 -1.0 2.0
END
