* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    147    238     444
    1     0 S   NP   _N1_     1    28.79007    94.59325   -22.83564
    2     1 S   H    _HN1     2     1.02780   101.10906   -83.55299
    3     1 S   H    _H1_     3     1.02961    84.33977    24.05233
    4     1 S   H    _H2_     4     1.02836    27.81248   169.06744
    5     1 S   CT   _CA1     5     1.50118   135.65252   137.61848
    6     5 S   HC   _HA1     6     1.09576   105.23625    74.24460
    7     5 S   CO3  _C1_     7     1.53778   112.38248   -45.96935
    8     7 S   O2Z  _O11     8     1.26359   115.00080   -44.35424
    9     7 S   O2Z  _O12     9     1.26239   114.91649   134.83551
   10     5 S   CT   _CB1    10     1.53093   107.42522  -167.86407
   11    10 S   HC   HB11    11     1.09826   109.30472   -51.01903
   12    10 S   HC   HB12    12     1.09822   110.43050    65.51385
   13    10 S   CT   _CG1    13     1.53020   112.69072  -172.13284
   14    13 S   HC   HG11    14     1.09595   110.44679   -64.06229
   15    13 S   HC   HG12    15     1.09652   109.99289    55.18045
   16    13 S   C    _CD1    16     1.51802   112.28037   175.50059
   17    16 S   O    _OE1    17     1.22725   123.24566    -1.95094
   18    16 S   N    _N2_    18     1.38645   111.68828   178.24320
   19    18 S   H    _HN2    19     1.01590   119.05910     1.03439
   20    18 S   CT1  _CA2    20     1.46086   123.30667   179.70064
   21    20 S   HC   _HA2    21     1.09590   109.28772    -7.58080
   22    20 S   C    _C2_    22     1.53479   108.79396  -122.76175
   23    22 S   O    _O2_    23     1.23036   122.06543  -148.02474
   24    20 S   CT   _CB2    32     1.53364   111.67725   114.80295
   25    24 S   HC   HB21    33     1.09654   109.63669    60.61160
   26    24 S   HC   HB22    34     1.09567   110.97787   177.99963
   27    22 S   N    _N3_    24     1.38455   113.53283    39.53863
   28    27 S   H    _HN3    25     1.01511   118.94479    -0.91193
   29    24 S   S    _SG2    35     1.82869   114.60756   -59.28179
   30    27 S   CT   _CA3    26     1.45458   123.54798   174.78429
   31    30 S   HC   HA31    27     1.09514   109.36411    22.10057
   32    30 S   HC   HA32    28     1.09497   107.10061   139.15184
   33    29 S   CT   _C18    36     1.83383    99.79879   -67.65688
   34    33 S   HC   _H3_    37     1.09228   107.67490   -48.90346
   35    33 S   HC   _H4_    38     1.09389   106.31424    67.02261
   36    30 S   CO3  _C3_    29     1.52923   112.99113  -101.44209
   37    36 S   O2Z  _O31    30     1.26410   115.36854   -44.84445
   38    36 S   O2Z  _O32    31     1.26346   115.00305   136.03561
   39    33 S   CT   _C14    39     1.55650   113.09716  -173.70926
   40    39 S   CT   _C10    40     1.53476   114.71904    58.72895
   41    40 S   HC   _H28    41     1.09286   113.74406   -50.77662
   42    39 S   OH   _O20    76     1.41912   105.88645   -63.92105
   43    42 S   HO   _H42    77     0.97334   107.65019    62.46451
   44    40 S   CT   _C11    42     1.53247   102.73427    69.76623
   45    44 S   HC   _H29    43     1.09651   109.77348   -83.67814
   46    40 S   OS   _O17    64     1.43213   109.33115  -168.28901
   47    44 S   CT   _C7_    44     1.53965   104.69203    33.17211
   48    47 S   HC   _H24    45     1.08927   111.82983   124.69624
   49    47 S   HC   _H25    46     1.09748   108.53816  -119.51716
   50    44 S   OH   _O19    74     1.41350   112.88425   156.93856
   51    50 S   HO   _H41    75     0.97239   107.60878  -176.81003
   52    39 S   CT   _C12    47     1.58233   113.87861   170.90439
   53    52 S   CT   _C13    48     1.62558   112.15768   171.23662
   54    52 S   CT   _C16    70     1.53809   111.83560    43.60700
   55    54 S   HC   _H33    71     1.09384   111.46322    57.09891
   56    54 S   HC   _H34    72     1.09562   111.73967   -62.17076
   57    54 S   HC   _H35    73     1.09248   112.31849   179.32885
   58    53 S   CT   _C8_    49     1.56301   107.83437    52.32332
   59    58 S   HC   _H26    50     1.09629   108.47212    82.69922
   60    53 S   CT   _C17    65     1.57954   109.90718   171.08403
   61    60 S   HC   _H36    66     1.09313   111.38450    62.10419
   62    60 S   HC   _H37    67     1.09040   111.99702   -58.27525
   63    58 S   CM   _C4_    51     1.50337   115.87342  -159.15737
   64    63 S   HC   _H23    52     1.08879   115.02983  -167.18636
   65    60 S   OH   _O21    68     1.42281   113.14084  -177.43540
   66    65 S   HO   _H43    69     0.97253   107.22846  -177.21969
   67    63 S   CM   _C5_    53     1.33924   126.53689    11.96555
   68    67 S   CO4  _C6_    54     1.48750   118.48983     1.50584
   69    68 S   O    _O16    55     1.23152   120.11296  -171.48569
   70    67 S   CT   _C15    60     1.49524   123.66462  -177.82642
   71    70 S   HC   _H30    61     1.09489   110.49673   118.47463
   72    70 S   HC   _H31    62     1.09513   111.94783    -1.49541
   73    70 S   HC   _H32    63     1.09491   110.42632  -121.39575
   74    53 S   CT   _C9_    56     1.56503   113.60240   -68.65031
   75    74 S   HC   _H27    57     1.08740   112.67078    49.87838
   76    74 S   OH   _O18    58     1.42370   111.15656   -69.81218
   77    76 S   HO   _H40    59     0.97325   107.36341   178.59960
  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   7   5   4   3
  13   5   4   2   1   1  20  17   8   7   1  11   7  11  13   5
   4   2   1  16  20   6   2   1   1  13   5   9   4   3   9   3
   2   1   9   9   4   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    52    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    47    52    53    46    54    42    43  
   35    39    40    52    42  
   39    40    52    42  
   37    38  
   38  
    0  
   40    41    44    45    47    48    49    52    53    58    74    46    60    54    55    56    57    50    42    43  
   41    44    45    47    48    49    52    53    58    59    63    46    54    50    51    42    43  
   44    45    47    52    58    46    50    42  
   43    44    46    47    52    53    54  
   52  
   45    47    48    49    52    53    58    46    54    50    51  
   47    48    49    52    46    50    51  
   60    50    47    52    53    58    59    63    64    67    74  
   48    49    52    53    58    74    60    54    55    56    57    50    51  
   49    52    53    54    50  
   52    53    54    50  
   51    52  
    0  
   53    58    59    63    68    74    75    76    60    61    62    65    54    55    56    57  
   58    59    63    64    67    68    69    74    75    76    77    60    61    62    65    66    54    55    56    57  
   55    56    57    58    60    74  
   56    57  
   57  
    0  
   59    63    64    67    68    74    75    76    70    60    61    62    65  
   63    64    67    74    60  
   61    62    65    66    63    68    74    75    76  
   62    65    66    74  
   65    66    74  
   64    67    68    69    74    70    71    72    73  
   67    68    70  
   66    74  
    0  
   68    69    74    75    76    70    71    72    73  
   69    74    75    76    77    70    71    72    73  
   74    75    76    70  
   71    72    73    74  
   72    73  
   73  
    0  
   75    76    77  
   76    77  
   77  
    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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.470000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   39    40   268.000  1.529
   39    52   268.000  1.529
   39    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    50   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   268.000  1.529
   52    54   268.000  1.529
   53    58   268.000  1.529
   53    74   268.000  1.529
   53    60   268.000  1.529
   58    59   340.000  1.090
   58    63   317.000  1.510
   58    46   320.000  1.410
   63    64   340.000  1.080
   63    67   549.000  1.340
   67    68   320.000  1.462
   67    70   317.000  1.510
   68    69   570.000  1.229
   68    74   317.000  1.522
   74    75   340.000  1.090
   74    76   320.000  1.410
   76    77   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   320.000  1.410
   65    66   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   50    51   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    52    58.35000  112.70000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    44    58.35000  112.70000
   39    40    46    50.00000  109.50000
   39    52    47    58.35000  112.70000
   39    52    53    58.35000  112.70000
   39    52    54    58.35000  112.70000
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  110.70000
   40    44    47    58.35000  112.70000
   40    44    50    50.00000  109.50000
   40    46    58    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    52    58.35000  112.70000
   44    50    51    55.00000  108.50000
   47    44    45    37.50000  110.70000
   47    52    53    58.35000  112.70000
   47    52    54    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    39    40    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    53    58    58.35000  112.70000
   52    53    74    58.35000  112.70000
   52    53    60    58.35000  112.70000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    57    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    63    70.00000  112.02700
   53    58    46    50.00000  109.50000
   53    74    68    63.00000  111.10000
   53    74    75    37.50000  110.70000
   53    74    76    50.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    65    50.00000  109.50000
   58    63    64    35.00000  117.00000
   58    63    67    70.00000  124.00000
   63    58    59    35.00000  109.50000
   63    67    68    65.00000  118.96000
   63    67    70    70.00000  124.00000
   67    63    64    35.00000  120.00000
   67    68    69    80.00000  123.72100
   67    68    74    65.00000  118.62400
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   68    74    75    35.00000  109.50000
   68    74    76    90.00000  109.61100
   74    53    58    58.35000  112.70000
   74    68    69    80.00000  120.40000
   74    76    77    55.00000  108.50000
   76    74    75    35.00000  109.50000
   70    67    68    65.00000  116.34900
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    44    50.00000  109.50000
   46    58    59    35.00000  109.50000
   46    58    63    85.00000  110.90400
   60    53    58    58.35000  112.70000
   60    53    74    58.35000  112.70000
   60    65    66    55.00000  108.50000
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   54    52    53    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    47    50.00000  109.50000
   42    39    40    50.00000  109.50000
   42    39    52    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    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   0.01700  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    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    52   0.44750  1.0 1.0
   29    33    39    52  -0.17800 -1.0 2.0
   29    33    39    52   0.20200  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    44   0.56750  1.0 1.0
   33    39    40    44  -0.07550 -1.0 2.0
   33    39    40    44   0.20000  1.0 3.0
   33    39    40    46   0.62750  1.0 1.0
   33    39    40    46  -0.30950 -1.0 2.0
   33    39    40    46   0.27300  1.0 3.0
   33    39    52    47   0.56750  1.0 1.0
   33    39    52    47  -0.07550 -1.0 2.0
   33    39    52    47   0.20000  1.0 3.0
   33    39    52    53   0.56750  1.0 1.0
   33    39    52    53  -0.07550 -1.0 2.0
   33    39    52    53   0.20000  1.0 3.0
   33    39    52    54   0.56750  1.0 1.0
   33    39    52    54  -0.07550 -1.0 2.0
   33    39    52    54   0.20000  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    52   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    52   0.15000  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    40    44    45   0.15000  1.0 3.0
   39    40   -44    47   0.56750  1.0 1.0
   39    40   -44    47  -0.07550 -1.0 2.0
   39    40   -44    47   0.20000  1.0 3.0
   39    40    44    50   0.86500  1.0 1.0
   39    40    44    50  -0.17500 -1.0 2.0
   39    40    44    50   0.20800  1.0 3.0
   39    40    46    58   0.06250  1.0 1.0
   39    40    46    58  -0.01100 -1.0 2.0
   39    40    46    58   0.28050  1.0 3.0
   39    52   -53    58   0.56750  1.0 1.0
   39    52   -53    58  -0.07550 -1.0 2.0
   39    52   -53    58   0.20000  1.0 3.0
   39    52    53    74   0.56750  1.0 1.0
   39    52    53    74  -0.07550 -1.0 2.0
   39    52    53    74   0.20000  1.0 3.0
   39    52    53    60   0.56750  1.0 1.0
   39    52    53    60  -0.07550 -1.0 2.0
   39    52    53    60   0.20000  1.0 3.0
   39    52    54    55   0.15000  1.0 3.0
   39    52    54    56   0.15000  1.0 3.0
   39    52    54    57   0.15000  1.0 3.0
   40    39   -52    47   0.56750  1.0 1.0
   40    39   -52    47  -0.07550 -1.0 2.0
   40    39   -52    47   0.20000  1.0 3.0
   40    39    52    53   0.56750  1.0 1.0
   40    39    52    53  -0.07550 -1.0 2.0
   40    39    52    53   0.20000  1.0 3.0
   40    39    52    54   0.56750  1.0 1.0
   40    39    52    54  -0.07550 -1.0 2.0
   40    39    52    54   0.20000  1.0 3.0
   40    39    42    43  -0.11600  1.0 1.0
   40    39    42    43  -0.09450 -1.0 2.0
   40    39    42    43   0.21250  1.0 3.0
   40    44    47    48   0.15000  1.0 3.0
   40    44    47    49   0.15000  1.0 3.0
   40    44   -47    52   0.56750  1.0 1.0
   40    44   -47    52  -0.07550 -1.0 2.0
   40    44   -47    52   0.20000  1.0 3.0
   40    44    50    51  -0.11600  1.0 1.0
   40    44    50    51  -0.09450 -1.0 2.0
   40    44    50    51   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    47   0.15000  1.0 3.0
   41    40    44    50   0.23400  1.0 3.0
   41    40    46    58   0.37050  1.0 3.0
   44    40    46    58   0.06250  1.0 1.0
   44    40    46    58  -0.01100 -1.0 2.0
   44    40    46    58   0.28050  1.0 3.0
   44    47   -52    39   0.56750  1.0 1.0
   44    47   -52    39  -0.07550 -1.0 2.0
   44    47   -52    39   0.20000  1.0 3.0
   44    47    52    53   0.56750  1.0 1.0
   44    47    52    53  -0.07550 -1.0 2.0
   44    47    52    53   0.20000  1.0 3.0
   44    47    52    54   0.56750  1.0 1.0
   44    47    52    54  -0.07550 -1.0 2.0
   44    47    52    54   0.20000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    52   0.15000  1.0 3.0
   45    44    50    51   0.19450  1.0 3.0
   47    44    50    51  -0.11600  1.0 1.0
   47    44    50    51  -0.09450 -1.0 2.0
   47    44    50    51   0.21250  1.0 3.0
   47    52    53    58   0.56750  1.0 1.0
   47    52    53    58  -0.07550 -1.0 2.0
   47    52    53    58   0.20000  1.0 3.0
   47    52    53    74   0.56750  1.0 1.0
   47    52    53    74  -0.07550 -1.0 2.0
   47    52    53    74   0.20000  1.0 3.0
   47    52    53    60   0.56750  1.0 1.0
   47    52    53    60  -0.07550 -1.0 2.0
   47    52    53    60   0.20000  1.0 3.0
   47    52    54    55   0.15000  1.0 3.0
   47    52    54    56   0.15000  1.0 3.0
   47    52    54    57   0.15000  1.0 3.0
   48    47    52    39   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   49    47    52    39   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   52    39    40    41   0.15000  1.0 3.0
   52    39   -40    44   0.56750  1.0 1.0
   52    39   -40    44  -0.07550 -1.0 2.0
   52    39   -40    44   0.20000  1.0 3.0
   52    39    40    46   0.62750  1.0 1.0
   52    39    40    46  -0.30950 -1.0 2.0
   52    39    40    46   0.27300  1.0 3.0
   52    39    42    43  -0.11600  1.0 1.0
   52    39    42    43  -0.09450 -1.0 2.0
   52    39    42    43   0.21250  1.0 3.0
   52    53    58    59   0.15000  1.0 3.0
   52    53    58    63   0.34400  1.0 1.0
   52    53    58    63   0.09450 -1.0 2.0
   52    53    58    63   0.11100  1.0 3.0
   52    53   -58    46   0.62750  1.0 1.0
   52    53   -58    46  -0.30950 -1.0 2.0
   52    53   -58    46   0.27300  1.0 3.0
   52    53    74    68  -0.95700  1.0 1.0
   52    53    74    68  -0.18200 -1.0 2.0
   52    53    74    68   0.29450  1.0 3.0
   52    53    74    75   0.15000  1.0 3.0
   52    53    74    76   0.86500  1.0 1.0
   52    53    74    76  -0.17500 -1.0 2.0
   52    53    74    76   0.20800  1.0 3.0
   52    53    60    61   0.15000  1.0 3.0
   52    53    60    62   0.15000  1.0 3.0
   52    53    60    65   0.86500  1.0 1.0
   52    53    60    65  -0.17500 -1.0 2.0
   52    53    60    65   0.20800  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    57   0.15000  1.0 3.0
   53    58    63    64   0.00000  1.0 1.0
   53    58    63    67   0.09850  1.0 1.0
   53    58    63    67   0.15250 -1.0 2.0
   53    58    63    67  -0.50650  1.0 3.0
   53    58   -46    40   0.06250  1.0 1.0
   53    58   -46    40  -0.01100 -1.0 2.0
   53    58   -46    40   0.28050  1.0 3.0
   53    74    76    77  -0.11600  1.0 1.0
   53    74    76    77  -0.09450 -1.0 2.0
   53    74    76    77   0.21250  1.0 3.0
   53    60    65    66  -0.11600  1.0 1.0
   53    60    65    66  -0.09450 -1.0 2.0
   53    60    65    66   0.21250  1.0 3.0
   58    53    74    68  -0.95700  1.0 1.0
   58    53    74    68  -0.18200 -1.0 2.0
   58    53    74    68   0.29450  1.0 3.0
   58    53    74    75   0.15000  1.0 3.0
   58    53    74    76   0.86500  1.0 1.0
   58    53    74    76  -0.17500 -1.0 2.0
   58    53    74    76   0.20800  1.0 3.0
   58    53    60    61   0.15000  1.0 3.0
   58    53    60    62   0.15000  1.0 3.0
   58    53    60    65   0.86500  1.0 1.0
   58    53    60    65  -0.17500 -1.0 2.0
   58    53    60    65   0.20800  1.0 3.0
   58    63   -67    68   7.00000 -1.0 2.0
   58    63    67    70   7.00000 -1.0 2.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    67   0.00000  1.0 1.0
   59    58    46    40   0.37050  1.0 3.0
   63    58    46    40  -0.77900  1.0 1.0
   63    58    46    40  -0.36900 -1.0 2.0
   63    58    46    40   0.40400  1.0 3.0
   63    67    68    69   1.00000 -1.0 2.0
   63    67    68    74  -0.33500  1.0 1.0
   63    67    68    74   1.06600 -1.0 2.0
   63    67    68    74  -0.14000  1.0 3.0
   63    67    70    71   0.00000  1.0 1.0
   63    67    70    72   0.00000  1.0 1.0
   63    67    70    73   0.00000  1.0 1.0
   64    63    67    68   7.00000 -1.0 2.0
   64    63    67    70   7.00000 -1.0 2.0
   67    68   -74    53   0.65300  1.0 1.0
   67    68   -74    53  -0.03850 -1.0 2.0
   67    68   -74    53   0.33900  1.0 3.0
   67    68    74    75   0.00000  1.0 1.0
   67    68    74    76   0.65300  1.0 1.0
   67    68    74    76  -0.03850 -1.0 2.0
   67    68    74    76   0.33900  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   68    74    76    77   0.91850  1.0 1.0
   68    74    76    77   0.57950  1.0 3.0
   69    68    74    53   0.30150 -1.0 2.0
   69    68    74    75   0.00000  1.0 1.0
   69    68    74    76   0.30150 -1.0 2.0
   74    53    58    59   0.15000  1.0 3.0
   74    53   -58    63   0.34400  1.0 1.0
   74    53   -58    63   0.09450 -1.0 2.0
   74    53   -58    63   0.11100  1.0 3.0
   74    53    58    46   0.62750  1.0 1.0
   74    53    58    46  -0.30950 -1.0 2.0
   74    53    58    46   0.27300  1.0 3.0
   74    53    60    61   0.15000  1.0 3.0
   74    53    60    62   0.15000  1.0 3.0
   74    53    60    65   0.86500  1.0 1.0
   74    53    60    65  -0.17500 -1.0 2.0
   74    53    60    65   0.20800  1.0 3.0
   75    74    76    77   0.19450  1.0 3.0
   70    67    68    69  -0.64400  1.0 1.0
   70    67    68    69   0.26850 -1.0 2.0
   70    67    68    74   0.25700  1.0 1.0
   70    67    68    74   0.66200 -1.0 2.0
   70    67    68    74   0.04450  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    47   0.62750  1.0 1.0
   46    40    44    47  -0.30950 -1.0 2.0
   46    40    44    47   0.27300  1.0 3.0
   46    40    44    50   3.69350  1.0 1.0
   46    40    44    50  -1.82950 -1.0 2.0
   46    58    63    64   0.00000  1.0 1.0
   46    58    63    67   0.39000  1.0 1.0
   46    58    63    67  -0.05800 -1.0 2.0
   46    58    63    67  -0.55150  1.0 3.0
   60    53    58    59   0.15000  1.0 3.0
   60    53    58    63   0.34400  1.0 1.0
   60    53    58    63   0.09450 -1.0 2.0
   60    53    58    63   0.11100  1.0 3.0
   60    53    58    46   0.62750  1.0 1.0
   60    53    58    46  -0.30950 -1.0 2.0
   60    53    58    46   0.27300  1.0 3.0
   60    53    74    68  -0.95700  1.0 1.0
   60    53    74    68  -0.18200 -1.0 2.0
   60    53    74    68   0.29450  1.0 3.0
   60    53    74    75   0.15000  1.0 3.0
   60    53    74    76   0.86500  1.0 1.0
   60    53    74    76  -0.17500 -1.0 2.0
   60    53    74    76   0.20800  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   62    60    65    66   0.19450  1.0 3.0
   54    52    53    58   0.56750  1.0 1.0
   54    52    53    58  -0.07550 -1.0 2.0
   54    52    53    58   0.20000  1.0 3.0
   54    52    53    74   0.56750  1.0 1.0
   54    52    53    74  -0.07550 -1.0 2.0
   54    52    53    74   0.20000  1.0 3.0
   54    52    53    60   0.56750  1.0 1.0
   54    52    53    60  -0.07550 -1.0 2.0
   54    52    53    60   0.20000  1.0 3.0
   50    44    47    48   0.23400  1.0 3.0
   50    44    47    49   0.23400  1.0 3.0
   50    44    47    52   0.86500  1.0 1.0
   50    44    47    52  -0.17500 -1.0 2.0
   50    44    47    52   0.20800  1.0 3.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    46   3.69350  1.0 1.0
   42    39    40    46  -1.82950 -1.0 2.0
   42    39    52    47   0.86500  1.0 1.0
   42    39    52    47  -0.17500 -1.0 2.0
   42    39    52    47   0.20800  1.0 3.0
   42    39    52    53   0.86500  1.0 1.0
   42    39    52    53  -0.17500 -1.0 2.0
   42    39    52    53   0.20800  1.0 3.0
   42    39    52    54   0.86500  1.0 1.0
   42    39    52    54  -0.17500 -1.0 2.0
   42    39    52    54   0.20800  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   58    64    63    67   1.10000 -1.0 2.0
   68    70    67    63   1.10000 -1.0 2.0
   67    74    68    69  10.50000 -1.0 2.0
END
