* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    149    237     449
    1     0 S   NP   _N1_     1    28.68075    95.66658   -23.11817
    2     1 S   H    _HN1     2     1.02829    33.82795   166.99020
    3     1 S   H    _H1_     3     1.02785   102.72062   -89.79609
    4     1 S   H    _H2_     4     1.02949    77.53564    16.50993
    5     1 S   CT   _CA1     5     1.50108   138.41054   123.31460
    6     5 S   HC   _HA1     6     1.09573   105.20668    83.51488
    7     5 S   CO3  _C1_     7     1.53790   112.43174   -36.74087
    8     7 S   O2Z  _O11     8     1.26372   115.00543   -43.33535
    9     7 S   O2Z  _O12     9     1.26238   114.94499   135.80881
   10     5 S   CT   _CB1    10     1.53084   107.42688  -158.50276
   11    10 S   HC   HB11    11     1.09832   109.39106   -49.78636
   12    10 S   HC   HB12    12     1.09813   110.44543    66.82389
   13    10 S   CT   _CG1    13     1.52991   112.59343  -170.76369
   14    13 S   HC   HG11    14     1.09583   110.61977   -65.17883
   15    13 S   HC   HG12    15     1.09669   109.79963    54.04834
   16    13 S   C    _CD1    16     1.51799   112.23619   174.51559
   17    16 S   O    _OE1    17     1.22735   123.29053     6.41466
   18    16 S   N    _N2_    18     1.38651   111.66791  -173.75760
   19    18 S   H    _HN2    19     1.01582   118.97097     1.57768
   20    18 S   CT1  _CA2    20     1.46184   123.36217   177.70160
   21    20 S   HC   _HA2    21     1.09744   109.37075     0.78009
   22    20 S   C    _C2_    22     1.53527   108.42548  -114.64374
   23    22 S   O    _O2_    23     1.23040   122.35786  -147.00525
   24    20 S   CT   _CB2    32     1.53458   111.78115   122.72410
   25    24 S   HC   HB21    33     1.09573   109.76787    56.66287
   26    24 S   HC   HB22    34     1.09234   109.56672   175.27743
   27    22 S   N    _N3_    24     1.38355   113.61086    40.36289
   28    27 S   H    _HN3    25     1.01593   119.57586    -3.32578
   29    24 S   S    _SG2    35     1.83116   111.17172   -63.28135
   30    27 S   CT   _CA3    26     1.45286   123.19224   177.14199
   31    30 S   HC   HA31    27     1.09549   107.50478   -64.70539
   32    30 S   HC   HA32    28     1.09557   107.98850    51.72960
   33    29 S   CT   _C14    36     1.88558   103.55822  -160.68686
   34    30 S   CO3  _C3_    29     1.52956   114.09033   173.73387
   35    34 S   O2Z  _O31    30     1.26376   116.07102    -0.57198
   36    34 S   O2Z  _O32    31     1.26430   114.41531   179.49332
   37    33 S   CT   _C13    37     1.56756   113.65428    77.07806
   38    37 S   HC   _H6_    38     1.09634   109.00275  -130.69037
   39    33 S   CT   _C10    49     1.59521   111.11826  -168.00014
   40    33 S   CT   _C15    74     1.54342   105.81489   -46.01263
   41    40 S   HC   _H18    75     1.09601   111.63705   -56.27519
   42    40 S   HC   _H19    76     1.09118   113.00117  -176.56487
   43    40 S   HC   _H20    77     1.09436   112.20684    65.86182
   44    37 S   CT   _C12    39     1.56067   106.79416   110.58997
   45    44 S   HC   _H5_    40     1.09426   112.38208  -138.47542
   46    44 S   CT   _C11    50     1.54707   105.39715   -18.99038
   47    46 S   HC   _H4_    51     1.09977   109.39566   155.66294
   48    39 S   CT   _C18    57     1.53940   115.48302    37.38749
   49    48 S   HC   _H25    58     1.09274   113.55761   -61.49921
   50    48 S   HC   _H26    59     1.09648   110.81014   179.12822
   51    48 S   HC   _H27    60     1.09558   110.79695    59.95036
   52    37 S   CO4  _C16    71     1.51733   117.98353   -11.97582
   53    52 S   O    _O33    72     1.22816   123.02613  -110.80285
   54    52 S   HC   _H21    73     1.10218   116.79115    68.76958
   55    44 S   CT   _C7_    41     1.55727   111.58422    98.03439
   56    55 S   HC   _H3_    42     1.10009   106.92066  -170.97659
   57    46 S   CT   _C17    52     1.53190   113.39648   -87.59421
   58    57 S   HC   _H22    53     1.09344   111.00333   174.01591
   59    57 S   HC   _H23    54     1.08842   113.66916    50.70873
   60    55 S   CT   _C8_    43     1.54455   110.05604   -54.98102
   61    60 S   HC   _H14    44     1.09700   109.77459  -158.88104
   62    60 S   HC   _H15    45     1.09498   109.48801    85.99626
   63    57 S   OH   _O34    55     1.42693   108.66289   -68.30952
   64    63 S   HO   _H24    56     0.97256   107.00837  -178.21546
   65    55 S   CT   _C5_    61     1.56081   114.11095    71.43983
   66    65 S   HC   _H10    62     1.09659   109.44890   -65.42250
   67    60 S   CT   _C9_    46     1.53696   114.35879   -37.29490
   68    67 S   HC   _H16    47     1.09690   109.36632   162.78648
   69    67 S   HC   _H17    48     1.09992   106.83108   -84.22844
   70    65 S   CT   _C4_    63     1.53310   112.43948    53.91520
   71    70 S   HC   _H7_    64     1.09509   111.23572    53.43059
   72    70 S   HC   _H8_    65     1.09387   111.45622   -67.77673
   73    70 S   HC   _H9_    66     1.09563   110.92671   173.57923
   74    65 S   CT   _C6_    67     1.53525   111.59746   176.19183
   75    74 S   HC   _H11    68     1.09521   111.19443   -56.80408
   76    74 S   HC   _H12    69     1.09560   110.85757  -176.88027
   77    74 S   HC   _H13    70     1.09407   111.50173    64.20758
  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  13   5   4   3
  24   2   1   1  20   9  24   8   2   1   1  21   8  18   7   8
   3   2   1   3   1   1  18   8   5   3   2   9   5   4   1   1
  10   8   2   1   1   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    67    39    46    48    52    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    55    60    67    68    69    39    46    47    57    48    49    50    51    52    53    54    40    41    42    43  
   35    36  
   36  
    0  
   38    44    45    55    56    60    67    39    46    47    57    48    65    52    53    54    40    41    42    43  
   44    45    55    39    46    52    53    54    40  
   46    47    57    58    59    63    48    49    50    51    52    40    41    42    43    44    45    55    60    61    62    67    68    69  
   41    42    43    44    46    48    52    67  
   42    43  
   43  
    0  
   45    55    56    60    61    62    67    46    47    57    58    59    63    48    65    66    70    74    52    53    54  
   55    56    60    46    47    57    65    52  
   47    57    58    59    63    64    48    49    50    51    65    52    55    56    60    67    68    69  
   57    58    59    63    48    55    67  
   49    50    51    57    60    67    68    69  
   50    51    67  
   51    67  
   67  
   53    54    55  
   54  
    0  
   56    60    61    62    67    68    69    57    65    66    70    71    72    73    74    75    76    77  
   60    61    62    67    65    66    70    74  
   58    59    63    64    67  
   59    63    64  
   63    64  
   61    62    67    68    69    65    66    70    74  
   62    67    68    69    65  
   67    68    69    65  
   64  
    0  
   66    70    71    72    73    74    75    76    77    67  
   70    71    72    73    74    75    76    77  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.145000   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  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    39   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    44   268.000  1.529
   37    52   317.000  1.522
   44    45   340.000  1.090
   44    55   268.000  1.529
   44    46   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    65   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    39   268.000  1.529
   39    46   268.000  1.529
   39    48   268.000  1.529
   46    47   340.000  1.090
   46    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   320.000  1.410
   63    64   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   65    66   340.000  1.090
   65    70   268.000  1.529
   65    74   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   52    53   570.000  1.229
   52    54   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    37    52    63.00000  111.10000
   33    39    67    58.35000  112.70000
   33    39    46    58.35000  112.70000
   33    39    48    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    55    58.35000  112.70000
   37    44    46    58.35000  112.70000
   37    52    53    80.00000  120.40000
   37    52    54    35.00000  115.00000
   44    37    38    37.50000  110.70000
   44    55    56    37.50000  110.70000
   44    55    60    58.35000  112.70000
   44    55    65    58.35000  112.70000
   44    46    39    58.35000  112.70000
   44    46    47    37.50000  110.70000
   44    46    57    58.35000  112.70000
   55    44    45    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    67    58.35000  112.70000
   55    65    66    37.50000  110.70000
   55    65    70    58.35000  112.70000
   55    65    74    58.35000  112.70000
   60    55    56    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    39    58.35000  112.70000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    39    46    58.35000  112.70000
   67    39    48    58.35000  112.70000
   69    67    68    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    67    68    37.50000  110.70000
   39    67    69    37.50000  110.70000
   39    46    47    37.50000  110.70000
   39    46    57    58.35000  112.70000
   39    48    49    37.50000  110.70000
   39    48    50    37.50000  110.70000
   39    48    51    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    44    55    58.35000  112.70000
   46    57    58    37.50000  110.70000
   46    57    59    37.50000  110.70000
   46    57    63    50.00000  109.50000
   57    46    47    37.50000  110.70000
   57    63    64    55.00000  108.50000
   59    57    58    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    59    35.00000  109.50000
   48    39    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   65    55    56    37.50000  110.70000
   65    55    60    58.35000  112.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   65    74    75    37.50000  110.70000
   65    74    76    37.50000  110.70000
   65    74    77    37.50000  110.70000
   70    65    66    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    65    66    37.50000  110.70000
   74    65    70    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   52    37    38    35.00000  109.50000
   52    37    44    63.00000  111.10000
   54    52    53    35.00000  123.00000
   40    33    37    58.35000  112.70000
   40    33    39    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    37    38   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    37    52   0.56750  1.0 1.0
   29    33    37    52  -0.07550 -1.0 2.0
   29    33    37    52   0.20000  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   0.20200  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    55   0.56750  1.0 1.0
   33    37    44    55  -0.07550 -1.0 2.0
   33    37    44    55   0.20000  1.0 3.0
   33    37   -44    46   0.56750  1.0 1.0
   33    37   -44    46  -0.07550 -1.0 2.0
   33    37   -44    46   0.20000  1.0 3.0
   33    37    52    53   0.30150 -1.0 2.0
   33    37    52    54   0.74550  1.0 1.0
   33    37    52    54  -0.00500 -1.0 2.0
   33    39   -46    44   0.56750  1.0 1.0
   33    39   -46    44  -0.07550 -1.0 2.0
   33    39   -46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    57   0.56750  1.0 1.0
   33    39    46    57  -0.07550 -1.0 2.0
   33    39    46    57   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   33    39    48    50   0.15000  1.0 3.0
   33    39    48    51   0.15000  1.0 3.0
   37    33    39    67   0.56750  1.0 1.0
   37    33    39    67  -0.07550 -1.0 2.0
   37    33    39    67   0.20000  1.0 3.0
   37    33   -39    46   0.56750  1.0 1.0
   37    33   -39    46  -0.07550 -1.0 2.0
   37    33   -39    46   0.20000  1.0 3.0
   37    33    39    48   0.56750  1.0 1.0
   37    33    39    48  -0.07550 -1.0 2.0
   37    33    39    48   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    55    56   0.15000  1.0 3.0
   37    44    55    60   0.56750  1.0 1.0
   37    44    55    60  -0.07550 -1.0 2.0
   37    44    55    60   0.20000  1.0 3.0
   37    44    55    65   0.56750  1.0 1.0
   37    44    55    65  -0.07550 -1.0 2.0
   37    44    55    65   0.20000  1.0 3.0
   37    44   -46    39   0.56750  1.0 1.0
   37    44   -46    39  -0.07550 -1.0 2.0
   37    44   -46    39   0.20000  1.0 3.0
   37    44    46    47   0.15000  1.0 3.0
   37    44    46    57   0.56750  1.0 1.0
   37    44    46    57  -0.07550 -1.0 2.0
   37    44    46    57   0.20000  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    55   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    52    53   0.00000  1.0 1.0
   38    37    52    54   0.00000  1.0 1.0
   44    37    52    53   0.30150 -1.0 2.0
   44    37    52    54   0.74550  1.0 1.0
   44    37    52    54  -0.00500 -1.0 2.0
   44    55    60    61   0.15000  1.0 3.0
   44    55    60    62   0.15000  1.0 3.0
   44    55    60    67   0.56750  1.0 1.0
   44    55    60    67  -0.07550 -1.0 2.0
   44    55    60    67   0.20000  1.0 3.0
   44    55    65    66   0.15000  1.0 3.0
   44    55    65    70   0.56750  1.0 1.0
   44    55    65    70  -0.07550 -1.0 2.0
   44    55    65    70   0.20000  1.0 3.0
   44    55    65    74   0.56750  1.0 1.0
   44    55    65    74  -0.07550 -1.0 2.0
   44    55    65    74   0.20000  1.0 3.0
   44    46    57    58   0.15000  1.0 3.0
   44    46    57    59   0.15000  1.0 3.0
   44    46    57    63   0.86500  1.0 1.0
   44    46    57    63  -0.17500 -1.0 2.0
   44    46    57    63   0.20800  1.0 3.0
   45    44    55    56   0.15000  1.0 3.0
   45    44    55    60   0.15000  1.0 3.0
   45    44    55    65   0.15000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    57   0.15000  1.0 3.0
   55    44    46    39   0.56750  1.0 1.0
   55    44    46    39  -0.07550 -1.0 2.0
   55    44    46    39   0.20000  1.0 3.0
   55    44    46    47   0.15000  1.0 3.0
   55    44    46    57   0.56750  1.0 1.0
   55    44    46    57  -0.07550 -1.0 2.0
   55    44    46    57   0.20000  1.0 3.0
   55    60    67    68   0.15000  1.0 3.0
   55    60    67    69   0.15000  1.0 3.0
   55    60   -67    39   0.56750  1.0 1.0
   55    60   -67    39  -0.07550 -1.0 2.0
   55    60   -67    39   0.20000  1.0 3.0
   55    65    70    71   0.15000  1.0 3.0
   55    65    70    72   0.15000  1.0 3.0
   55    65    70    73   0.15000  1.0 3.0
   55    65    74    75   0.15000  1.0 3.0
   55    65    74    76   0.15000  1.0 3.0
   55    65    74    77   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    67   0.15000  1.0 3.0
   56    55    65    66   0.15000  1.0 3.0
   56    55    65    70   0.15000  1.0 3.0
   56    55    65    74   0.15000  1.0 3.0
   60    55    65    66   0.15000  1.0 3.0
   60    55    65    70   0.56750  1.0 1.0
   60    55    65    70  -0.07550 -1.0 2.0
   60    55    65    70   0.20000  1.0 3.0
   60    55    65    74   0.56750  1.0 1.0
   60    55    65    74  -0.07550 -1.0 2.0
   60    55    65    74   0.20000  1.0 3.0
   60    67    39    33   0.56750  1.0 1.0
   60    67    39    33  -0.07550 -1.0 2.0
   60    67    39    33   0.20000  1.0 3.0
   60    67    39    46   0.56750  1.0 1.0
   60    67    39    46  -0.07550 -1.0 2.0
   60    67    39    46   0.20000  1.0 3.0
   60    67    39    48   0.56750  1.0 1.0
   60    67    39    48  -0.07550 -1.0 2.0
   60    67    39    48   0.20000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    39   0.15000  1.0 3.0
   62    60    67    68   0.15000  1.0 3.0
   62    60    67    69   0.15000  1.0 3.0
   62    60    67    39   0.15000  1.0 3.0
   67    39   -46    44   0.56750  1.0 1.0
   67    39   -46    44  -0.07550 -1.0 2.0
   67    39   -46    44   0.20000  1.0 3.0
   67    39    46    47   0.15000  1.0 3.0
   67    39    46    57   0.56750  1.0 1.0
   67    39    46    57  -0.07550 -1.0 2.0
   67    39    46    57   0.20000  1.0 3.0
   67    39    48    49   0.15000  1.0 3.0
   67    39    48    50   0.15000  1.0 3.0
   67    39    48    51   0.15000  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    46   0.15000  1.0 3.0
   68    67    39    48   0.15000  1.0 3.0
   69    67    39    33   0.15000  1.0 3.0
   69    67    39    46   0.15000  1.0 3.0
   69    67    39    48   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33   -37    44   0.56750  1.0 1.0
   39    33   -37    44  -0.07550 -1.0 2.0
   39    33   -37    44   0.20000  1.0 3.0
   39    33    37    52  -0.95700  1.0 1.0
   39    33    37    52  -0.18200 -1.0 2.0
   39    33    37    52   0.29450  1.0 3.0
   39    33    40    41   0.15000  1.0 3.0
   39    33    40    42   0.15000  1.0 3.0
   39    33    40    43   0.15000  1.0 3.0
   39    46    57    58   0.15000  1.0 3.0
   39    46    57    59   0.15000  1.0 3.0
   39    46    57    63   0.86500  1.0 1.0
   39    46    57    63  -0.17500 -1.0 2.0
   39    46    57    63   0.20800  1.0 3.0
   46    44    55    56   0.15000  1.0 3.0
   46    44   -55    60   0.56750  1.0 1.0
   46    44   -55    60  -0.07550 -1.0 2.0
   46    44   -55    60   0.20000  1.0 3.0
   46    44    55    65   0.56750  1.0 1.0
   46    44    55    65  -0.07550 -1.0 2.0
   46    44    55    65   0.20000  1.0 3.0
   46    39    48    49   0.15000  1.0 3.0
   46    39    48    50   0.15000  1.0 3.0
   46    39    48    51   0.15000  1.0 3.0
   46    57    63    64  -0.11600  1.0 1.0
   46    57    63    64  -0.09450 -1.0 2.0
   46    57    63    64   0.21250  1.0 3.0
   47    46    57    58   0.15000  1.0 3.0
   47    46    57    59   0.15000  1.0 3.0
   47    46    57    63   0.23400  1.0 3.0
   58    57    63    64   0.19450  1.0 3.0
   59    57    63    64   0.19450  1.0 3.0
   48    39    46    44   0.56750  1.0 1.0
   48    39    46    44  -0.07550 -1.0 2.0
   48    39    46    44   0.20000  1.0 3.0
   48    39    46    47   0.15000  1.0 3.0
   48    39    46    57   0.56750  1.0 1.0
   48    39    46    57  -0.07550 -1.0 2.0
   48    39    46    57   0.20000  1.0 3.0
   65    55    60    61   0.15000  1.0 3.0
   65    55    60    62   0.15000  1.0 3.0
   65    55    60    67   0.56750  1.0 1.0
   65    55    60    67  -0.07550 -1.0 2.0
   65    55    60    67   0.20000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   66    65    74    75   0.15000  1.0 3.0
   66    65    74    76   0.15000  1.0 3.0
   66    65    74    77   0.15000  1.0 3.0
   70    65    74    75   0.15000  1.0 3.0
   70    65    74    76   0.15000  1.0 3.0
   70    65    74    77   0.15000  1.0 3.0
   74    65    70    71   0.15000  1.0 3.0
   74    65    70    72   0.15000  1.0 3.0
   74    65    70    73   0.15000  1.0 3.0
   52    37    44    45  -0.11250  1.0 3.0
   52    37    44    55  -0.95700  1.0 1.0
   52    37    44    55  -0.18200 -1.0 2.0
   52    37    44    55   0.29450  1.0 3.0
   52    37    44    46  -0.95700  1.0 1.0
   52    37    44    46  -0.18200 -1.0 2.0
   52    37    44    46   0.29450  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    37    52  -0.95700  1.0 1.0
   40    33    37    52  -0.18200 -1.0 2.0
   40    33    37    52   0.29450  1.0 3.0
   40    33    39    67   0.56750  1.0 1.0
   40    33    39    67  -0.07550 -1.0 2.0
   40    33    39    67   0.20000  1.0 3.0
   40    33    39    46   0.56750  1.0 1.0
   40    33    39    46  -0.07550 -1.0 2.0
   40    33    39    46   0.20000  1.0 3.0
   40    33    39    48   0.56750  1.0 1.0
   40    33    39    48  -0.07550 -1.0 2.0
   40    33    39    48   0.20000  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
   35    30    34    36  10.50000 -1.0 2.0
   37    54    52    53  10.50000 -1.0 2.0
END
