* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    164    242     471
    1     0 S   NP   _N1_     1    28.48275    96.20391   -23.16101
    2     1 S   H    _HN1     2     1.02778   102.97598   -85.78700
    3     1 S   H    _H1_     3     1.02959    76.85387    20.34105
    4     1 S   H    _H2_     4     1.02836    34.33153   171.39705
    5     1 S   CT   _CA1     5     1.50130   138.47310   126.34313
    6     5 S   HC   _HA1     6     1.09575   105.20840    84.40925
    7     5 S   CO3  _C1_     7     1.53772   112.42357   -35.76683
    8     7 S   O2Z  _O11     8     1.26360   114.99142   -42.57387
    9     7 S   O2Z  _O12     9     1.26238   114.92204   136.54965
   10     5 S   CT   _CB1    10     1.53092   107.42678  -157.67592
   11    10 S   HC   HB11    11     1.09828   109.28083   -50.59835
   12    10 S   HC   HB12    12     1.09818   110.42668    65.93618
   13    10 S   CT   _CG1    13     1.53029   112.72123  -171.69017
   14    13 S   HC   HG11    14     1.09591   110.49015   -65.14465
   15    13 S   HC   HG12    15     1.09658   109.92875    54.09465
   16    13 S   C    _CD1    16     1.51828   112.29576   174.42652
   17    16 S   O    _OE1    17     1.22733   123.24108     0.67955
   18    16 S   N    _N2_    18     1.38645   111.69257  -179.07380
   19    18 S   H    _HN2    19     1.01577   119.03863     1.26439
   20    18 S   CT1  _CA2    20     1.46141   123.35137   179.14682
   21    20 S   HC   _HA2    21     1.09737   109.29843    -1.48464
   22    20 S   C    _C2_    22     1.53433   108.58920  -116.84633
   23    22 S   O    _O2_    23     1.23034   122.26735  -143.97741
   24    20 S   CT   _CB2    32     1.53258   111.70019   120.42195
   25    24 S   HC   HB21    33     1.09585   110.56601    55.16360
   26    24 S   HC   HB22    34     1.09499   109.99468   174.18648
   27    22 S   N    _N3_    24     1.38509   113.47339    43.52578
   28    27 S   H    _HN3    25     1.01485   119.04158    -0.47395
   29    24 S   S    _SG2    35     1.82486   111.68376   -65.79488
   30    27 S   CT   _CA3    26     1.45430   123.23535   174.61140
   31    30 S   HC   HA31    27     1.09534   109.03911    28.86270
   32    30 S   HC   HA32    28     1.09488   107.19532   145.86902
   33    29 S   CT   _C23    36     1.81961    98.50147  -169.45465
   34    33 S   HC   _H3_    37     1.09486   107.20762   -58.61937
   35    33 S   HC   _H4_    38     1.09219   110.50154    56.63474
   36    30 S   CO3  _C3_    29     1.52948   113.16221   -94.43694
   37    36 S   O2Z  _O31    30     1.26398   115.43879   -43.76547
   38    36 S   O2Z  _O32    31     1.26360   114.96074   137.12564
   39    33 S   CM   _C8_    39     1.50413   110.76845   179.40226
   40    39 S   CMA  _C9_    40     1.35133   124.79156   113.18485
   41    40 S   OM   _O22    41     1.26347   128.03504     1.55003
   42    40 S   OS   _O24    42     1.40869   110.24764  -176.39174
   43    42 S   CT   _C16    43     1.43608   107.53915   -11.18923
   44    43 S   HC   _H37    44     1.09924   105.88885  -101.33166
   45    39 S   CT   _C14    45     1.51418   122.90329   -64.79354
   46    45 S   HC   _H35    46     1.09475   107.73083    68.24165
   47    43 S   CT   _C15    59     1.53668   107.46155   143.62509
   48    47 S   HC   _H36    60     1.09725   109.19170    48.15555
   49    45 S   CT   _C17    47     1.55476   115.08574   -53.98565
   50    49 S   HC   _H38    48     1.09904   107.52977   -51.12551
   51    66 S   OS   _O25    61     1.43516   112.92418     5.52698
   52    49 S   CT   _C13    49     1.54944   115.59645  -171.79237
   53    52 S   HC   _H33    50     1.09906   107.85645   175.30226
   54    52 S   HC   _H34    51     1.09246   110.23024    63.52595
   55    49 S   OS   _O26    78     1.45152   109.16196    66.55646
   56    52 S   CM   _C6_    52     1.52022   116.59072   -64.58297
   57    55 S   CO4  _C12    79     1.36082   117.73247  -149.16469
   58    57 S   O    _O23    80     1.22396   125.86012     0.06853
   59    56 S   CM   _C4_    53     1.34934   126.66970    94.35248
   60    59 S   HC   _H29    54     1.09190   116.58926   178.94242
   61    56 S   CT   _C19    74     1.51166   114.94217   -88.89523
   62    61 S   HC   _H39    75     1.09498   110.52790   -50.48963
   63    61 S   HC   _H40    76     1.09554   112.46201  -169.89672
   64    61 S   HC   _H41    77     1.09132   110.82924    70.16281
   65    57 S   CM   _C11    81     1.49132   111.70486   178.74961
   66    59 S   CO   _C18    55     1.51106   131.32852    -1.50155
   67    65 S   CM   _C10    82     1.34132   122.14546    12.65113
   68    67 S   HC   _H31    83     1.08592   120.85875   179.88636
   69    67 S   HC   _H32    84     1.08432   122.95194    -0.01978
   70    65 S   CT   _C21    85     1.49947   115.95147  -167.99221
   71    70 S   HC   _H45    86     1.09499   110.51318   -61.28134
   72    70 S   HC   _H46    87     1.09508   110.37960    58.85552
   73    70 S   HC   _H47    88     1.09528   112.05438   178.69374
   74    66 S   CM   _C5_    56     1.49460   110.16282  -111.02480
   75    74 S   HC   _H30    57     1.08079   124.47846   -63.75837
   76    66 S   OS   _O27    66     1.43472   110.00734   131.82701
   77    74 S   CM   _C7_    58     1.33274   110.46720   116.02940
   78    76 S   CT   _C24    67     1.42666   114.30092   -75.76732
   79    78 S   HC   _H53    68     1.09496   109.95934   -63.60425
   80    78 S   HC   _H54    69     1.09478   110.56959    57.07453
   81    77 S   CT   _C20    62     1.48424   127.29846   179.26087
   82    81 S   HC   _H42    63     1.09338   110.85896   114.78190
   83    81 S   HC   _H43    64     1.09503   111.41280    -5.07157
   84    81 S   HC   _H44    65     1.09434   110.42649  -124.76498
   85    78 S   CT   _C22    70     1.51644   108.11661   176.98838
   86    85 S   HC   _H48    71     1.09505   110.59618   -59.40240
   87    85 S   HC   _H49    72     1.09505   110.62541    58.87926
   88    85 S   HC   _H50    73     1.09358   110.90438   179.74821
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  14   7  13   5  13   5
  11   6  10  12   5   4   6   9   9   3  11   4   4   2   1   1
   7   9   6   2   1   3   2   1   1   8   3   8   4   6   5   4
   3   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    45  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    45    46    49  
   35    39    40    45  
   39    40    45  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    49    50    52    47    55  
   41    42    43    44    45    46    49    47  
   42    43    45  
   43    44    45    46    49    77    47    48    51  
   44    45    46    49    50    52    66    74    77    47    48    51    81    55  
   45    46    49    77    47    48    51  
   46    49    50    52    53    54    56    77    47    48    51    55    57  
   49    50    52    47    55  
   48    51    81    82    83    84    76    49    59    66    74    75    77  
   51    81    66    74    77  
   50    52    53    54    56    59    61    55    57    58    65  
   52    53    54    56    55    57  
   81    76    78    56    59    60    66    74    75    77  
   53    54    56    59    60    66    61    62    63    64    55    57  
   54    56    59    61    55  
   56    59    61    55  
   57    58    65    67    70    56  
   59    60    66    74    76    61    62    63    64  
   58    65    67    68    69    70    71    72    73  
   65    67    70  
   60    66    74    75    77    76    78    61    62    63    64  
   66    74    76    61  
   62    63    64    66  
   63    64  
   64  
    0  
   67    68    69    70    71    72    73  
   74    75    77    81    76    78    79    80    85  
   68    69    70    71    72    73  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
   75    77    81    82    83    84    76    78  
   77    81    76  
   78    79    80    85    86    87    88    77  
   81    82    83    84  
   79    80    85    86    87    88  
   80    85    86    87    88  
   85    86    87    88  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660   0.400000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    45   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    55   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    56   317.000  1.510
   56    59   549.000  1.340
   56    61   317.000  1.510
   59    60   340.000  1.080
   59    66   317.000  1.510
   66    74   317.000  1.510
   66    51   320.000  1.380
   66    76   320.000  1.380
   74    75   340.000  1.080
   74    77   549.000  1.340
   77    47   317.000  1.510
   77    81   317.000  1.510
   47    48   340.000  1.090
   47    51   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   76    78   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   55    57   214.000  1.327
   57    58   570.000  1.229
   57    65   320.000  1.462
   65    67   549.000  1.340
   65    70   317.000  1.510
   67    68   340.000  1.080
   67    69   340.000  1.080
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    45    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    45    43    70.00000  112.02700
   39    45    46    35.00000  109.50000
   39    45    49    70.00000  112.02700
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    58.35000  112.70000
   43    47    77    70.00000  112.02700
   43    47    48    37.50000  110.70000
   43    47    51    50.00000  109.50000
   45    39    40    70.00000  124.00000
   45    43    44    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    52    58.35000  112.70000
   45    49    55    50.00000  109.50000
   49    45    46    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    56    70.00000  112.02700
   49    55    57    83.00000  116.90000
   52    49    50    37.50000  110.70000
   52    56    59    70.00000  124.00000
   52    56    61    65.00000  117.92700
   54    52    53    33.00000  107.80000
   56    52    53    35.00000  109.50000
   56    52    54    35.00000  109.50000
   56    59    60    35.00000  120.00000
   56    59    66    70.00000  124.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    64    35.00000  109.50000
   59    66    74    70.00000  110.12100
   59    66    51    85.00000  110.90400
   59    66    76    85.00000  110.90400
   66    59    60    35.00000  117.00000
   66    74    75    35.00000  117.00000
   66    74    77    70.00000  124.00000
   66    51    47    60.00000  109.50000
   66    76    78    60.00000  109.50000
   74    77    47    70.00000  124.00000
   74    77    81    70.00000  124.00000
   77    74    75    35.00000  120.00000
   77    47    48    35.00000  109.50000
   77    47    51    85.00000  110.90400
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   51    66    74    85.00000  110.90400
   51    47    48    35.00000  109.50000
   81    77    47    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   76    66    74    85.00000  110.90400
   76    66    51    92.60000  111.55000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    85    50.00000  109.50000
   78    85    86    37.50000  110.70000
   78    85    87    37.50000  110.70000
   78    85    88    37.50000  110.70000
   80    78    79    33.00000  107.80000
   85    78    79    37.50000  110.70000
   85    78    80    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   61    56    59    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   55    49    50    35.00000  109.50000
   55    49    52    50.00000  109.50000
   55    57    58    83.00000  123.40000
   55    57    65    90.00000  111.29400
   57    65    67    65.00000  118.96000
   57    65    70    65.00000  116.34900
   65    57    58    80.00000  123.72100
   65    67    68    35.00000  120.00000
   65    67    69    35.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   69    67    68    35.00000  117.00000
   70    65    67    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    45   0.30250  1.0 1.0
   29    33    39    45  -0.14950 -1.0 2.0
   29    33    39    45   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    45    43   0.46850  1.0 1.0
   33    39    45    43   0.08550 -1.0 2.0
   33    39    45    43   0.09800  1.0 3.0
   33    39    45    46   0.34800  1.0 3.0
   33    39    45    49   0.46850  1.0 1.0
   33    39    45    49   0.08550 -1.0 2.0
   33    39    45    49   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    45   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    45   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   39    45    49    50   0.15000  1.0 3.0
   39    45    49    52   0.34400  1.0 1.0
   39    45    49    52   0.09450 -1.0 2.0
   39    45    49    52   0.11100  1.0 3.0
   39    45    49    55   0.61850  1.0 1.0
   39    45    49    55  -0.22750 -1.0 2.0
   39    45    49    55   0.15300  1.0 3.0
   40    39   -45    43   0.09850  1.0 1.0
   40    39   -45    43   0.15250 -1.0 2.0
   40    39   -45    43  -0.50650  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    49   0.09850  1.0 1.0
   40    39    45    49   0.15250 -1.0 2.0
   40    39    45    49  -0.50650  1.0 3.0
   40    42    43    44   0.08050  1.0 3.0
   40    42   -43    45  -0.46850  1.0 1.0
   40    42   -43    45   0.09300 -1.0 2.0
   40    42   -43    45  -0.12850  1.0 3.0
   40    42    43    47  -0.46850  1.0 1.0
   40    42    43    47   0.09300 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43   -45    39   0.61850  1.0 1.0
   42    43   -45    39  -0.22750 -1.0 2.0
   42    43   -45    39   0.15300  1.0 3.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.62750  1.0 1.0
   42    43    45    49  -0.30950 -1.0 2.0
   42    43    45    49   0.27300  1.0 3.0
   42    43    47    77   0.61850  1.0 1.0
   42    43    47    77  -0.22750 -1.0 2.0
   42    43    47    77   0.15300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   42    43    47    51   1.11900  1.0 1.0
   42    43    47    51  -1.16350 -1.0 2.0
   42    43    47    51  -0.34150  1.0 3.0
   43    45    49    50   0.15000  1.0 3.0
   43    45    49    52   0.56750  1.0 1.0
   43    45    49    52  -0.07550 -1.0 2.0
   43    45    49    52   0.20000  1.0 3.0
   43    45    49    55   0.62750  1.0 1.0
   43    45    49    55  -0.30950 -1.0 2.0
   43    45    49    55   0.27300  1.0 3.0
   43    47    51    66   0.06250  1.0 1.0
   43    47    51    66  -0.01100 -1.0 2.0
   43    47    51    66   0.28050  1.0 3.0
   44    43    45    39   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    47    77   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.23400  1.0 3.0
   45    39    40    41   7.00000 -1.0 2.0
   45    39   -40    42   7.00000 -1.0 2.0
   45    43    47    77   0.34400  1.0 1.0
   45    43    47    77   0.09450 -1.0 2.0
   45    43    47    77   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    51   0.62750  1.0 1.0
   45    43    47    51  -0.30950 -1.0 2.0
   45    43    47    51   0.27300  1.0 3.0
   45    49    52    53   0.15000  1.0 3.0
   45    49    52    54   0.15000  1.0 3.0
   45    49    52    56   0.34400  1.0 1.0
   45    49    52    56   0.09450 -1.0 2.0
   45    49    52    56   0.11100  1.0 3.0
   45    49    55    57  -0.25900  1.0 1.0
   45    49    55    57  -0.47000 -1.0 2.0
   45    49    55    57   0.11750  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   46    45    49    55   0.23400  1.0 3.0
   49    52    56    59   0.09850  1.0 1.0
   49    52    56    59   0.15250 -1.0 2.0
   49    52    56    59  -0.50650  1.0 3.0
   49    52    56    61   0.46850  1.0 1.0
   49    52    56    61   0.08550 -1.0 2.0
   49    52    56    61   0.09800  1.0 3.0
   49    55    57    58   3.00000 -1.0 2.0
   49    55    57    65   2.00000 -1.0 2.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    56   0.15000  1.0 3.0
   50    49    55    57   0.08050  1.0 3.0
   52    49    55    57  -0.25900  1.0 1.0
   52    49    55    57  -0.47000 -1.0 2.0
   52    49    55    57   0.11750  1.0 3.0
   52    56    59    60   7.00000 -1.0 2.0
   52    56    59    66   7.00000 -1.0 2.0
   52    56    61    62   0.34800  1.0 3.0
   52    56    61    63   0.34800  1.0 3.0
   52    56    61    64   0.34800  1.0 3.0
   53    52    56    59   0.00000  1.0 1.0
   53    52    56    61   0.34800  1.0 3.0
   54    52    56    59   0.00000  1.0 1.0
   54    52    56    61   0.34800  1.0 3.0
   56    59    66    74  -0.28300  1.0 1.0
   56    59    66    74   0.26700 -1.0 2.0
   56    59    66    74  -0.63300  1.0 3.0
   56    59    66    51   0.39000  1.0 1.0
   56    59    66    51  -0.05800 -1.0 2.0
   56    59    66    51  -0.55150  1.0 3.0
   56    59    66    76   0.39000  1.0 1.0
   56    59    66    76  -0.05800 -1.0 2.0
   56    59    66    76  -0.55150  1.0 3.0
   59    56    61    62   0.00000  1.0 1.0
   59    56    61    63   0.00000  1.0 1.0
   59    56    61    64   0.00000  1.0 1.0
   59    66    74    75   0.00000  1.0 1.0
   59    66    74    77  -0.28300  1.0 1.0
   59    66    74    77   0.26700 -1.0 2.0
   59    66    74    77  -0.63300  1.0 3.0
   59    66    51    47  -0.77900  1.0 1.0
   59    66    51    47  -0.36900 -1.0 2.0
   59    66    51    47   0.40400  1.0 3.0
   59    66    76    78  -0.77900  1.0 1.0
   59    66    76    78  -0.36900 -1.0 2.0
   59    66    76    78   0.40400  1.0 3.0
   60    59    66    74   0.00000  1.0 1.0
   60    59    66    51   0.00000  1.0 1.0
   60    59    66    76   0.00000  1.0 1.0
   66    74   -77    47   7.00000 -1.0 2.0
   66    74    77    81   7.00000 -1.0 2.0
   66    76    78    79   0.37050  1.0 3.0
   66    76    78    80   0.37050  1.0 3.0
   66    76    78    85   0.06250  1.0 1.0
   66    76    78    85  -0.01100 -1.0 2.0
   66    76    78    85   0.28050  1.0 3.0
   74    66   -51    47  -0.77900  1.0 1.0
   74    66   -51    47  -0.36900 -1.0 2.0
   74    66   -51    47   0.40400  1.0 3.0
   74    66    76    78  -0.77900  1.0 1.0
   74    66    76    78  -0.36900 -1.0 2.0
   74    66    76    78   0.40400  1.0 3.0
   74    77    47    43   0.09850  1.0 1.0
   74    77    47    43   0.15250 -1.0 2.0
   74    77    47    43  -0.50650  1.0 3.0
   74    77    47    48   0.00000  1.0 1.0
   74    77   -47    51   0.39000  1.0 1.0
   74    77   -47    51  -0.05800 -1.0 2.0
   74    77   -47    51  -0.55150  1.0 3.0
   74    77    81    82   0.00000  1.0 1.0
   74    77    81    83   0.00000  1.0 1.0
   74    77    81    84   0.00000  1.0 1.0
   75    74    77    47   7.00000 -1.0 2.0
   75    74    77    81   7.00000 -1.0 2.0
   77    47   -51    66  -0.77900  1.0 1.0
   77    47   -51    66  -0.36900 -1.0 2.0
   77    47   -51    66   0.40400  1.0 3.0
   47    43    45    39   0.34400  1.0 1.0
   47    43    45    39   0.09450 -1.0 2.0
   47    43    45    39   0.11100  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.56750  1.0 1.0
   47    43    45    49  -0.07550 -1.0 2.0
   47    43    45    49   0.20000  1.0 3.0
   47    77    81    82   0.34800  1.0 3.0
   47    77    81    83   0.34800  1.0 3.0
   47    77    81    84   0.34800  1.0 3.0
   48    47    51    66   0.37050  1.0 3.0
   51    66    74    75   0.00000  1.0 1.0
   51    66   -74    77   0.39000  1.0 1.0
   51    66   -74    77  -0.05800 -1.0 2.0
   51    66   -74    77  -0.55150  1.0 3.0
   51    66    76    78  -0.53350  1.0 1.0
   51    66    76    78  -0.78350 -1.0 2.0
   51    66    76    78   0.33750  1.0 3.0
   81    77    47    43   0.46850  1.0 1.0
   81    77    47    43   0.08550 -1.0 2.0
   81    77    47    43   0.09800  1.0 3.0
   81    77    47    48   0.34800  1.0 3.0
   81    77    47    51   0.09700  1.0 1.0
   81    77    47    51   0.15600 -1.0 2.0
   81    77    47    51  -0.50800  1.0 3.0
   76    66    74    75   0.00000  1.0 1.0
   76    66    74    77   0.39000  1.0 1.0
   76    66    74    77  -0.05800 -1.0 2.0
   76    66    74    77  -0.55150  1.0 3.0
   76    66    51    47  -0.53350  1.0 1.0
   76    66    51    47  -0.78350 -1.0 2.0
   76    66    51    47   0.33750  1.0 3.0
   76    78    85    86   0.23400  1.0 3.0
   76    78    85    87   0.23400  1.0 3.0
   76    78    85    88   0.23400  1.0 3.0
   79    78    85    86   0.15000  1.0 3.0
   79    78    85    87   0.15000  1.0 3.0
   79    78    85    88   0.15000  1.0 3.0
   80    78    85    86   0.15000  1.0 3.0
   80    78    85    87   0.15000  1.0 3.0
   80    78    85    88   0.15000  1.0 3.0
   61    56    59    60   7.00000 -1.0 2.0
   61    56    59    66   7.00000 -1.0 2.0
   55    49    52    53   0.23400  1.0 3.0
   55    49    52    54   0.23400  1.0 3.0
   55    49    52    56   0.61850  1.0 1.0
   55    49    52    56  -0.22750 -1.0 2.0
   55    49    52    56   0.15300  1.0 3.0
   55    57    65    67  -0.56150  1.0 1.0
   55    57    65    67   2.19150 -1.0 2.0
   55    57    65    70  -0.15000  1.0 1.0
   55    57    65    70   0.89550 -1.0 2.0
   55    57    65    70  -0.06900  1.0 3.0
   57    65    67    68   7.00000 -1.0 2.0
   57    65    67    69   7.00000 -1.0 2.0
   57    65    70    71   0.15000  1.0 3.0
   57    65    70    72   0.15000  1.0 3.0
   57    65    70    73   0.15000  1.0 3.0
   58    57    65    67   1.00000 -1.0 2.0
   58    57    65    70  -0.64400  1.0 1.0
   58    57    65    70   0.26850 -1.0 2.0
   67    65    70    71   0.00000  1.0 1.0
   67    65    70    72   0.00000  1.0 1.0
   67    65    70    73   0.00000  1.0 1.0
   70    65    67    68   7.00000 -1.0 2.0
   70    65    67    69   7.00000 -1.0 2.0
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
   33    45    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   52    61    56    59   1.10000 -1.0 2.0
   66    60    59    56   1.10000 -1.0 2.0
   66    75    74    77   1.10000 -1.0 2.0
   47    81    77    74   1.10000 -1.0 2.0
   55    65    57    58  10.50000 -1.0 2.0
   57    70    65    67  15.00000 -1.0 2.0
   68    69    67    65  15.00000 -1.0 2.0
END
