* LIGAND DATABASE FILE (OPLS2005)
*
001      79    80    153    236     457
    1     0 S   NP   _N1_     1    28.66581    96.42607   -23.19321
    2     1 S   H    _HN1     2     1.02828    39.23267   166.64787
    3     1 S   H    _H1_     3     1.02785   102.42693   -90.20409
    4     1 S   H    _H2_     4     1.02950    72.34622    15.36348
    5     1 S   CT   _CA1     5     1.50108   141.39355   116.18684
    6     5 S   HC   _HA1     6     1.09572   105.20399    90.67708
    7     5 S   CO3  _C1_     7     1.53791   112.46047   -29.57541
    8     7 S   O2Z  _O11     8     1.26372   115.00734   -42.66190
    9     7 S   O2Z  _O12     9     1.26240   114.94936   136.49597
   10     5 S   CT   _CB1    10     1.53082   107.42424  -151.32972
   11    10 S   HC   HB11    11     1.09832   109.38968   -49.72250
   12    10 S   HC   HB12    12     1.09813   110.43986    66.89019
   13    10 S   CT   _CG1    13     1.52986   112.59684  -170.70225
   14    13 S   HC   HG11    14     1.09583   110.61911   -65.25224
   15    13 S   HC   HG12    15     1.09669   109.79976    53.97770
   16    13 S   C    _CD1    16     1.51797   112.24859   174.44346
   17    16 S   O    _OE1    17     1.22728   123.29814     6.22022
   18    16 S   N    _N2_    18     1.38654   111.65123  -173.88410
   19    18 S   H    _HN2    19     1.01579   118.92781     1.89610
   20    18 S   CT1  _CA2    20     1.46195   123.40233   177.81860
   21    20 S   HC   _HA2    21     1.09734   109.36914     2.59103
   22    20 S   C    _C2_    22     1.53543   108.63922  -112.93198
   23    22 S   O    _O2_    23     1.23062   122.26875  -147.93406
   24    20 S   CT   _CB2    32     1.53342   111.55361   124.60317
   25    24 S   HC   HB21    33     1.09583   110.03846    56.29277
   26    24 S   HC   HB22    34     1.09456   110.02014   175.40803
   27    22 S   N    _N3_    24     1.38322   113.71501    39.50521
   28    27 S   H    _HN3    25     1.01586   119.59441    -3.30849
   29    24 S   S    _SG2    35     1.82796   111.48976   -64.71006
   30    27 S   CT   _CA3    26     1.45289   123.20859   177.12540
   31    30 S   HC   HA31    27     1.09549   107.50766   -64.63392
   32    30 S   HC   HA32    28     1.09557   107.98728    51.80395
   33    29 S   CT   _C14    36     1.84749    99.92814   170.67574
   34    33 S   HC   _H6_    37     1.09521   104.65327   -50.01198
   35    30 S   CO3  _C3_    29     1.52959   114.08311   173.80372
   36    35 S   O2Z  _O31    30     1.26376   116.06789    -0.66205
   37    35 S   O2Z  _O32    31     1.26428   114.41260   179.39997
   38    33 S   CT   _C13    38     1.53424   110.09163    65.66464
   39    38 S   HC   _H16    39     1.09765   110.91903    33.84053
   40    38 S   HC   _H17    40     1.09813   107.83523   -82.17683
   41    38 S   CT   _C12    41     1.53277   114.12419   157.87319
   42    41 S   HC   _H5_    42     1.09668   108.24430   141.69498
   43    41 S   CT   _C11    43     1.54808   114.61458    19.00541
   44    41 S   OH   _O34    78     1.43083   108.37687  -104.14674
   45    44 S   HO   _H24    79     0.97247   107.76833   -61.39967
   46    43 S   CT   _C8_    44     1.58138   111.68710  -165.83993
   47    46 S   HC   _H3_    45     1.09918   106.07689    63.41788
   48    43 S   OS   _O33    64     1.43754   112.16441   -49.04930
   49    43 S   CT   _C18    74     1.54331   110.08012    70.78060
   50    49 S   HC   _H25    75     1.09198   112.54972   -52.06460
   51    49 S   HC   _H26    76     1.09482   111.42598  -169.96203
   52    49 S   HC   _H27    77     1.09351   111.98698    67.83868
   53    46 S   CT   _C7_    46     1.54495   113.07260   177.99133
   54    53 S   HC   _H12    47     1.09471   110.44730    61.69554
   55    53 S   HC   _H13    48     1.09634   110.22015   -55.54920
   56    33 S   CT   _C15    65     1.54698   113.82997  -166.69454
   57    53 S   CT   _C6_    49     1.53218   112.47705  -176.23236
   58    57 S   HC   _H10    50     1.09811   107.95127    68.72121
   59    57 S   HC   _H11    51     1.09768   108.73291  -176.76584
   60    56 S   CT   _C16    66     1.53895   114.02185   -55.37552
   61    60 S   HC   _H18    67     1.09667   110.58919  -170.02687
   62    60 S   HC   _H19    68     1.09474   112.22633    69.62288
   63    60 S   HC   _H20    69     1.09187   112.24813   -51.58764
   64    56 S   CT   _C17    70     1.54229   110.62706    65.93271
   65    64 S   HC   _H21    71     1.09690   110.75649   174.72270
   66    64 S   HC   _H22    72     1.09637   110.63099    57.37691
   67    64 S   HC   _H23    73     1.09405   112.73823   -64.25908
   68    57 S   CT   _C5_    52     1.53667   113.99086   -52.76109
   69    68 S   Br   Br1_    53     2.00420   107.95394   -70.73373
   70    68 S   CT   _C10    54     1.54507   112.60254    47.73745
   71    70 S   Cl   Cl1_    55     1.80471   111.53970    75.57595
   72    70 S   HC   _H4_    56     1.09613   110.28265  -168.57519
   73    68 S   CT   _C4_    60     1.53736   110.42338   175.75564
   74    73 S   HC   _H7_    61     1.09621   111.36339  -179.12307
   75    73 S   HC   _H8_    62     1.09677   111.48715    60.90434
   76    73 S   HC   _H9_    63     1.09496   111.84236   -58.37235
   77    46 S   CT   _C9_    57     1.54432   114.29131   -55.66128
   78    77 S   HC   _H14    58     1.09526   109.60678   -61.36124
   79    77 S   HC   _H15    59     1.09566   110.65703    54.79335
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  13   6   5  14   6  20   4   1  20  10  15
   6   2   1   1  12   6   5   8  12   5   4   7   3   2   1   3
   2   1   1  11   8   9   5   4   4   2   1   1   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    56    60    64  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    56    60    61    62    63    64    65    66    67    44  
   38    39    40    41    48    56    60    64  
   36    37  
   37  
    0  
   39    40    41    42    43    46    48    56    60    64    49    44    45  
   40    41    42    43    56    44  
   41    42    43    56    44  
   42    43    46    47    53    77    48    56    49    50    51    52    44    45  
   43    46    48    49    44    45  
   46    47    53    54    55    57    70    77    78    79    48    56    60    64    49    50    51    52    44    45  
   45    46    48    49  
    0  
   47    53    54    55    57    58    59    68    70    71    72    77    78    79    48    56    49    50    51    52  
   53    54    55    57    70    77    78    79    48    49  
   56    60    61    62    63    64    65    66    67    49    50    51    52    53    77  
   50    51    52    53    56    77  
   51    52  
   52  
    0  
   54    55    57    58    59    68    69    70    77    78    79    73  
   55    57    58    59    68    77  
   57    58    59    68    77  
   60    61    62    63    64    65    66    67  
   58    59    68    69    70    71    72    77    73    74    75    76  
   59    68    69    70    73  
   68    69    70    73  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    77    78    79    73    74    75    76  
   70    71    72    77    73    74    75    76  
   71    72    77    78    79    73    74    75    76  
   72    77    78    79    73  
   77    78    79    73  
   74    75    76    77  
   75    76  
   76  
    0  
   78    79  
   79  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5000   0.0660  -0.009500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.017100   1.9750   1.7500   0.005000000  -0.741685710
   69   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   70   3.5000   0.0660   0.097000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   72   2.5000   0.0300   0.103000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.069500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   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    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   340.000  1.090
   33    38   268.000  1.529
   33    56   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    44   320.000  1.410
   43    46   268.000  1.529
   43    48   320.000  1.410
   43    49   268.000  1.529
   46    47   340.000  1.090
   46    53   268.000  1.529
   46    77   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    68   268.000  1.529
   68    69   245.000  1.990
   68    70   268.000  1.529
   68    73   268.000  1.529
   70    71   245.000  1.781
   70    72   340.000  1.090
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   48    56   320.000  1.410
   56    60   268.000  1.529
   56    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   44    45   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    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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    56    48    50.00000  109.50000
   33    56    60    58.35000  112.70000
   33    56    64    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    44    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    46    58.35000  112.70000
   41    43    48    50.00000  109.50000
   41    43    49    58.35000  112.70000
   41    44    45    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    53    58.35000  112.70000
   43    46    77    58.35000  112.70000
   43    48    56    60.00000  109.50000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    57    58.35000  112.70000
   46    77    70    58.35000  112.70000
   46    77    78    37.50000  110.70000
   46    77    79    37.50000  110.70000
   53    46    47    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    68    58.35000  112.70000
   55    53    54    33.00000  107.80000
   57    53    54    37.50000  110.70000
   57    53    55    37.50000  110.70000
   57    68    69    70.00000  109.17700
   57    68    70    58.35000  112.70000
   57    68    73    58.35000  112.70000
   59    57    58    33.00000  107.80000
   68    57    58    37.50000  110.70000
   68    57    59    37.50000  110.70000
   68    70    71    69.00000  109.80000
   68    70    72    37.50000  110.70000
   68    70    77    58.35000  112.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    37.50000  110.70000
   70    68    69    70.00000  109.17700
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   72    70    71    51.00000  107.60000
   77    46    47    37.50000  110.70000
   77    46    53    58.35000  112.70000
   77    70    71    69.00000  109.80000
   77    70    72    37.50000  110.70000
   79    77    78    33.00000  107.80000
   73    68    69    70.00000  109.17700
   73    68    70    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   48    43    46    50.00000  109.50000
   48    56    60    50.00000  109.50000
   48    56    64    50.00000  109.50000
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    67    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    56    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   49    43    46    58.35000  112.70000
   49    43    48    50.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   44    41    42    35.00000  109.50000
   44    41    43    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    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   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    56    48   0.56750  1.0 1.0
   29    33    56    48  -0.07550 -1.0 2.0
   29    33    56    48   0.20000  1.0 3.0
   29    33    56    60   0.44750  1.0 1.0
   29    33    56    60  -0.17800 -1.0 2.0
   29    33    56    60   0.20200  1.0 3.0
   29    33    56    64   0.44750  1.0 1.0
   29    33    56    64  -0.17800 -1.0 2.0
   29    33    56    64   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    44   0.86500  1.0 1.0
   33    38    41    44  -0.17500 -1.0 2.0
   33    38    41    44   0.20800  1.0 3.0
   33    56    60    61   0.15000  1.0 3.0
   33    56    60    62   0.15000  1.0 3.0
   33    56    60    63   0.15000  1.0 3.0
   33    56    64    65   0.15000  1.0 3.0
   33    56    64    66   0.15000  1.0 3.0
   33    56    64    67   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    56    48   0.23400  1.0 3.0
   34    33    56    60   0.15000  1.0 3.0
   34    33    56    64   0.15000  1.0 3.0
   38    33    56    48   0.62750  1.0 1.0
   38    33    56    48  -0.30950 -1.0 2.0
   38    33    56    48   0.27300  1.0 3.0
   38    33    56    60   0.56750  1.0 1.0
   38    33    56    60  -0.07550 -1.0 2.0
   38    33    56    60   0.20000  1.0 3.0
   38    33    56    64   0.56750  1.0 1.0
   38    33    56    64  -0.07550 -1.0 2.0
   38    33    56    64   0.20000  1.0 3.0
   38    41    43    46   0.56750  1.0 1.0
   38    41    43    46  -0.07550 -1.0 2.0
   38    41    43    46   0.20000  1.0 3.0
   38    41   -43    48   0.62750  1.0 1.0
   38    41   -43    48  -0.30950 -1.0 2.0
   38    41   -43    48   0.27300  1.0 3.0
   38    41    43    49   0.56750  1.0 1.0
   38    41    43    49  -0.07550 -1.0 2.0
   38    41    43    49   0.20000  1.0 3.0
   38    41    44    45  -0.11600  1.0 1.0
   38    41    44    45  -0.09450 -1.0 2.0
   38    41    44    45   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.23400  1.0 3.0
   41    43    46    47   0.15000  1.0 3.0
   41    43    46    53   0.56750  1.0 1.0
   41    43    46    53  -0.07550 -1.0 2.0
   41    43    46    53   0.20000  1.0 3.0
   41    43    46    77   0.56750  1.0 1.0
   41    43    46    77  -0.07550 -1.0 2.0
   41    43    46    77   0.20000  1.0 3.0
   41    43    48    56   0.06250  1.0 1.0
   41    43    48    56  -0.01100 -1.0 2.0
   41    43    48    56   0.28050  1.0 3.0
   41    43    49    50   0.15000  1.0 3.0
   41    43    49    51   0.15000  1.0 3.0
   41    43    49    52   0.15000  1.0 3.0
   42    41    43    46   0.15000  1.0 3.0
   42    41    43    48   0.23400  1.0 3.0
   42    41    43    49   0.15000  1.0 3.0
   42    41    44    45   0.19450  1.0 3.0
   43    41    44    45  -0.11600  1.0 1.0
   43    41    44    45  -0.09450 -1.0 2.0
   43    41    44    45   0.21250  1.0 3.0
   43    46    53    54   0.15000  1.0 3.0
   43    46    53    55   0.15000  1.0 3.0
   43    46    53    57   0.56750  1.0 1.0
   43    46    53    57  -0.07550 -1.0 2.0
   43    46    53    57   0.20000  1.0 3.0
   43    46    77    70   0.56750  1.0 1.0
   43    46    77    70  -0.07550 -1.0 2.0
   43    46    77    70   0.20000  1.0 3.0
   43    46    77    78   0.15000  1.0 3.0
   43    46    77    79   0.15000  1.0 3.0
   43    48   -56    33   0.06250  1.0 1.0
   43    48   -56    33  -0.01100 -1.0 2.0
   43    48   -56    33   0.28050  1.0 3.0
   43    48    56    60   0.06250  1.0 1.0
   43    48    56    60  -0.01100 -1.0 2.0
   43    48    56    60   0.28050  1.0 3.0
   43    48    56    64   0.06250  1.0 1.0
   43    48    56    64  -0.01100 -1.0 2.0
   43    48    56    64   0.28050  1.0 3.0
   46    43    48    56   0.06250  1.0 1.0
   46    43    48    56  -0.01100 -1.0 2.0
   46    43    48    56   0.28050  1.0 3.0
   46    43    49    50   0.15000  1.0 3.0
   46    43    49    51   0.15000  1.0 3.0
   46    43    49    52   0.15000  1.0 3.0
   46    53    57    58   0.15000  1.0 3.0
   46    53    57    59   0.15000  1.0 3.0
   46    53    57    68   0.56750  1.0 1.0
   46    53    57    68  -0.07550 -1.0 2.0
   46    53    57    68   0.20000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    57   0.15000  1.0 3.0
   47    46    77    70   0.15000  1.0 3.0
   47    46    77    78   0.15000  1.0 3.0
   47    46    77    79   0.15000  1.0 3.0
   53    46    77    70   0.56750  1.0 1.0
   53    46    77    70  -0.07550 -1.0 2.0
   53    46    77    70   0.20000  1.0 3.0
   53    46    77    78   0.15000  1.0 3.0
   53    46    77    79   0.15000  1.0 3.0
   53    57    68    69   0.74700  1.0 1.0
   53    57    68    69  -0.19600 -1.0 2.0
   53    57    68    69   0.19200  1.0 3.0
   53    57   -68    70   0.56750  1.0 1.0
   53    57   -68    70  -0.07550 -1.0 2.0
   53    57   -68    70   0.20000  1.0 3.0
   53    57    68    73   0.56750  1.0 1.0
   53    57    68    73  -0.07550 -1.0 2.0
   53    57    68    73   0.20000  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    68   0.15000  1.0 3.0
   55    53    57    58   0.15000  1.0 3.0
   55    53    57    59   0.15000  1.0 3.0
   55    53    57    68   0.15000  1.0 3.0
   57    68    70    71   0.35600  1.0 1.0
   57    68    70    71  -0.14650 -1.0 2.0
   57    68    70    71   0.33350  1.0 3.0
   57    68    70    72   0.15000  1.0 3.0
   57    68    70    77   0.56750  1.0 1.0
   57    68    70    77  -0.07550 -1.0 2.0
   57    68    70    77   0.20000  1.0 3.0
   57    68    73    74   0.15000  1.0 3.0
   57    68    73    75   0.15000  1.0 3.0
   57    68    73    76   0.15000  1.0 3.0
   58    57    68    69   0.39750  1.0 3.0
   58    57    68    70   0.15000  1.0 3.0
   58    57    68    73   0.15000  1.0 3.0
   59    57    68    69   0.39750  1.0 3.0
   59    57    68    70   0.15000  1.0 3.0
   59    57    68    73   0.15000  1.0 3.0
   68    70   -77    46   0.56750  1.0 1.0
   68    70   -77    46  -0.07550 -1.0 2.0
   68    70   -77    46   0.20000  1.0 3.0
   68    70    77    78   0.15000  1.0 3.0
   68    70    77    79   0.15000  1.0 3.0
   69    68    70    71   0.56750  1.0 1.0
   69    68    70    71  -0.07550 -1.0 2.0
   69    68    70    71   0.20000  1.0 3.0
   69    68    70    72   0.39750  1.0 3.0
   69    68    70    77   0.74700  1.0 1.0
   69    68    70    77  -0.19600 -1.0 2.0
   69    68    70    77   0.19200  1.0 3.0
   69    68    73    74   0.39750  1.0 3.0
   69    68    73    75   0.39750  1.0 3.0
   69    68    73    76   0.39750  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    76   0.15000  1.0 3.0
   71    70    77    46   0.35600  1.0 1.0
   71    70    77    46  -0.14650 -1.0 2.0
   71    70    77    46   0.33350  1.0 3.0
   71    70    77    78   0.27000  1.0 3.0
   71    70    77    79   0.27000  1.0 3.0
   72    70    77    46   0.15000  1.0 3.0
   72    70    77    78   0.15000  1.0 3.0
   72    70    77    79   0.15000  1.0 3.0
   77    46    53    54   0.15000  1.0 3.0
   77    46    53    55   0.15000  1.0 3.0
   77    46   -53    57   0.56750  1.0 1.0
   77    46   -53    57  -0.07550 -1.0 2.0
   77    46   -53    57   0.20000  1.0 3.0
   73    68    70    71   0.35600  1.0 1.0
   73    68    70    71  -0.14650 -1.0 2.0
   73    68    70    71   0.33350  1.0 3.0
   73    68    70    72   0.15000  1.0 3.0
   73    68    70    77   0.56750  1.0 1.0
   73    68    70    77  -0.07550 -1.0 2.0
   73    68    70    77   0.20000  1.0 3.0
   48    43    46    47   0.23400  1.0 3.0
   48    43    46    53   0.62750  1.0 1.0
   48    43    46    53  -0.30950 -1.0 2.0
   48    43    46    53   0.27300  1.0 3.0
   48    43    46    77   0.62750  1.0 1.0
   48    43    46    77  -0.30950 -1.0 2.0
   48    43    46    77   0.27300  1.0 3.0
   48    43    49    50   0.23400  1.0 3.0
   48    43    49    51   0.23400  1.0 3.0
   48    43    49    52   0.23400  1.0 3.0
   48    56    60    61   0.23400  1.0 3.0
   48    56    60    62   0.23400  1.0 3.0
   48    56    60    63   0.23400  1.0 3.0
   48    56    64    65   0.23400  1.0 3.0
   48    56    64    66   0.23400  1.0 3.0
   48    56    64    67   0.23400  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    33   -38    41   0.56750  1.0 1.0
   56    33   -38    41  -0.07550 -1.0 2.0
   56    33   -38    41   0.20000  1.0 3.0
   60    56    64    65   0.15000  1.0 3.0
   60    56    64    66   0.15000  1.0 3.0
   60    56    64    67   0.15000  1.0 3.0
   64    56    60    61   0.15000  1.0 3.0
   64    56    60    62   0.15000  1.0 3.0
   64    56    60    63   0.15000  1.0 3.0
   49    43    46    47   0.15000  1.0 3.0
   49    43    46    53   0.56750  1.0 1.0
   49    43    46    53  -0.07550 -1.0 2.0
   49    43    46    53   0.20000  1.0 3.0
   49    43    46    77   0.56750  1.0 1.0
   49    43    46    77  -0.07550 -1.0 2.0
   49    43    46    77   0.20000  1.0 3.0
   49    43    48    56   0.06250  1.0 1.0
   49    43    48    56  -0.01100 -1.0 2.0
   49    43    48    56   0.28050  1.0 3.0
   44    41    43    46   0.86500  1.0 1.0
   44    41    43    46  -0.17500 -1.0 2.0
   44    41    43    46   0.20800  1.0 3.0
   44    41    43    48   3.69350  1.0 1.0
   44    41    43    48  -1.82950 -1.0 2.0
   44    41    43    49   0.86500  1.0 1.0
   44    41    43    49  -0.17500 -1.0 2.0
   44    41    43    49   0.20800  1.0 3.0
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
END
