* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    170    259     505
    1     0 S   NP   _N1_     1    29.68730    90.23873   -20.15306
    2     1 S   H    _HN1     2     1.02789    83.80410   -70.67095
    3     1 S   H    _H1_     3     1.03019   121.78171    36.85492
    4     1 S   H    _H2_     4     1.02895    24.58919    95.59608
    5     1 S   CT   _CA1     5     1.50263   116.20282   177.72643
    6     5 S   HC   _HA1     6     1.09637   105.22488    34.16014
    7     5 S   CO3  _C1_     7     1.54225   110.92493   -84.19334
    8     7 S   O2Z  _O11     8     1.26268   115.76449   -86.05349
    9     7 S   O2Z  _O12     9     1.26337   114.34695    92.19708
   10     5 S   CT   _CB1    10     1.53039   107.20607   150.74222
   11    10 S   HC   HB11    11     1.09821   109.85905   -51.33474
   12    10 S   HC   HB12    12     1.09621   110.11250    65.02870
   13    10 S   CT   _CG1    13     1.53077   112.74733  -172.63497
   14    13 S   HC   HG11    14     1.09541   110.54731   -47.86600
   15    13 S   HC   HG12    15     1.09565   110.41388    71.30606
   16    13 S   C    _CD1    16     1.51752   110.99855  -168.60549
   17    16 S   O    _OE1    17     1.22813   122.74811   -25.50536
   18    16 S   N    _N2_    18     1.38533   112.25094   154.72561
   19    18 S   H    _HN2    19     1.01569   119.34291     3.91947
   20    18 S   CT1  _CA2    20     1.46057   123.03669  -173.49100
   21    20 S   HC   _HA2    21     1.09574   109.26421   -10.97228
   22    20 S   C    _C2_    22     1.53319   109.02299  -126.49958
   23    22 S   O    _O2_    23     1.23027   122.11342  -147.34717
   24    20 S   CT   _CB2    32     1.53584   111.43213   110.94825
   25    24 S   HC   HB21    33     1.09675   109.35726    64.81441
   26    24 S   HC   HB22    34     1.09519   110.97429  -178.25112
   27    22 S   N    _N3_    24     1.38473   113.44821    40.25789
   28    27 S   H    _HN3    25     1.01519   118.94332    -0.70582
   29    24 S   S    _SG2    35     1.83135   114.77353   -54.29271
   30    27 S   CT   _CA3    26     1.45434   123.29230   174.65790
   31    30 S   HC   HA31    27     1.09535   109.03515    28.17139
   32    30 S   HC   HA32    28     1.09488   107.17489   145.17826
   33    29 S   CT   _C13    36     1.82471   100.69367   -68.45573
   34    33 S   HC   _H5_    37     1.09585   109.43548    51.65924
   35    30 S   CO3  _C3_    29     1.52954   113.26125   -95.13243
   36    35 S   O2Z  _O31    30     1.26394   115.49279   -41.99154
   37    35 S   O2Z  _O32    31     1.26371   114.91953   138.92895
   38    33 S   CT   _C14    38     1.52880   112.00664   -70.59181
   39    38 S   HC   _H20    39     1.09296   111.88875    88.30973
   40    38 S   HC   _H21    40     1.09468   113.14692   -37.77687
   41    38 S   CO4  _C15    41     1.50846   101.99091  -153.66785
   42    41 S   O    _O33    42     1.22477   123.21718  -168.86113
   43    41 S   CT   _C16    43     1.51724   112.33288    11.08512
   44    43 S   HC   _H6_    44     1.09780   107.49720  -101.06142
   45    33 S   CT   _C12    45     1.54092   111.99431   173.05923
   46    45 S   HC   _H4_    46     1.10039   109.70862    47.86864
   47    43 S   CT   _C17    71     1.53118   113.32717   135.24254
   48    47 S   HC   _H22    72     1.09592   109.87960  -151.57730
   49    47 S   HC   _H23    73     1.09718   110.45493   -34.03252
   50    45 S   CM   _C11    47     1.50820   113.62832   -76.27572
   51    50 S   HC   _H19    48     1.08823   116.92554   -50.68435
   52    47 S   CT   _C18    74     1.53201   111.98435    88.21073
   53    52 S   HC   _H24    75     1.09581   110.17857   -63.19383
   54    52 S   HC   _H25    76     1.09703   109.34450    54.40180
   55    50 S   CM   _C10    49     1.34201   123.85327   133.27707
   56    55 S   HC   _H18    50     1.08748   119.53630    -2.56239
   57    52 S   CT   _C19    77     1.53009   111.13295   174.98522
   58    57 S   HC   _H26    78     1.09668   109.65500    61.83634
   59    57 S   HC   _H27    79     1.09694   109.49779   -55.40461
   60    55 S   CT   _C9_    51     1.50364   123.43096   173.79231
   61    60 S   HC   _H3_    52     1.09588   111.20938    10.82366
   62    57 S   CT   _C20    80     1.52934   111.35594  -176.51103
   63    62 S   HC   _H28    81     1.09683   109.59595    55.95327
   64    62 S   HC   _H29    82     1.09670   109.57860   -61.35323
   65    60 S   CT   _C8_    53     1.53549   112.05216  -111.75514
   66    65 S   HC   _H16    54     1.09801   108.88018  -172.21449
   67    65 S   HC   _H17    55     1.09839   109.63526   -57.38328
   68    60 S   OH   _O36    69     1.42677   109.27743   128.87513
   69    68 S   HO   _H34    70     0.97577   108.47877   -45.98311
   70    62 S   CT   _C21    83     1.52948   111.26571   177.08530
   71    70 S   HC   _H30    84     1.09717   109.50738   -57.78615
   72    70 S   HC   _H31    85     1.09696   109.56758    59.17147
   73    65 S   CT   _C7_    56     1.53196   113.20809    65.83581
   74    73 S   HC   _H14    57     1.09511   110.25139   -57.43534
   75    73 S   HC   _H15    58     1.09672   109.41739    60.11703
   76    70 S   CT   _C22    86     1.52518   111.40330  -179.18699
   77    76 S   HC   _H32    87     1.09711   109.45335   -58.90606
   78    76 S   HC   _H33    88     1.09720   109.43697    58.41963
   79    73 S   CT   _C6_    59     1.52979   111.59833  -178.29693
   80    79 S   HC   _H12    60     1.09663   109.76143   -59.21166
   81    79 S   HC   _H13    61     1.09685   109.45871    58.19673
   82    76 S   CO3  _C23    89     1.53206   115.22735   179.68472
   83    82 S   O2Z  _O35    90     1.26528   114.02291   179.70926
   84    82 S   O2Z  _O34    91     1.26133   116.68467    -0.31027
   85    79 S   CT   _C5_    62     1.52909   111.11227   179.30114
   86    85 S   HC   _H10    63     1.09566   109.90458   -56.30910
   87    85 S   HC   _H11    64     1.09618   109.80185    61.30494
   88    85 S   CT   _C4_    65     1.51997   111.63393  -177.37341
   89    88 S   HC   _H7_    66     1.09459   111.01593   -60.13755
   90    88 S   HC   _H8_    67     1.09474   110.97732    60.42508
   91    88 S   HC   _H9_    68     1.09456   110.24317  -179.94766
  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
  14   8   2   1   1  10   5   4  10   4  13   7  10   4  10   5
   4   7   3   9   5   4   9   4   9   5   4  10   6   9   5   4
  11   6   5   2   1   8   5   4   9   5   4   5   4   3   9   5
   4   2   1   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    45    46    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    50    51    55    47  
   38    39    40    41    43    45    46    50  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    50    47  
   40    41    42    43    45  
   41    42    43    45  
   42    43    44    45    46    50    47    48    49    52  
   43    44    45    47  
   44    45    46    50    51    55    47    48    49    52    53    54    57  
   45    46    50    47    48    49    52  
   46    50    51    55    56    60    47    48    49    52  
   50    51    55    47  
   48    49    52    53    54    57    58    59    62    50  
   49    52    53    54    57  
   52    53    54    57  
   51    55    56    60    61    65    68  
   55    56    60  
   53    54    57    58    59    62    63    64    70  
   54    57    58    59    62  
   57    58    59    62  
   56    60    61    65    66    67    73    68    69  
   60    61    65    68  
   58    59    62    63    64    70    71    72    76  
   59    62    63    64    70  
   62    63    64    70  
   61    65    66    67    73    74    75    79    68    69  
   65    66    67    73    68    69  
   63    64    70    71    72    76    77    78    82  
   64    70    71    72    76  
   70    71    72    76  
   66    67    73    74    75    79    80    81    85    68    69  
   67    73    74    75    79    68  
   73    74    75    79    68  
   69    73  
    0  
   71    72    76    77    78    82    83    84  
   72    76    77    78    82  
   76    77    78    82  
   74    75    79    80    81    85    86    87    88  
   75    79    80    81    85  
   79    80    81    85  
   77    78    82    83    84  
   78    82    83    84  
   82    83    84  
   80    81    85    86    87    88    89    90    91  
   81    85    86    87    88  
   85    86    87    88  
   83    84  
   84  
    0  
   86    87    88    89    90    91  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   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    45   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   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    50   317.000  1.510
   50    51   340.000  1.080
   50    55   549.000  1.340
   55    56   340.000  1.080
   55    60   317.000  1.510
   60    61   340.000  1.090
   60    65   268.000  1.529
   60    68   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   68    69   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   317.000  1.522
   82    83   656.000  1.250
   82    84   656.000  1.250
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    45    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    45    43    58.35000  112.70000
   33    45    46    37.50000  110.70000
   33    45    50    70.00000  112.02700
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    63.00000  111.10000
   41    43    47    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    45    46    37.50000  110.70000
   43    45    50    70.00000  112.02700
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    52    58.35000  112.70000
   45    33    34    37.50000  110.70000
   45    33    38    58.35000  112.70000
   45    43    44    37.50000  110.70000
   45    50    51    35.00000  117.00000
   45    50    55    70.00000  124.00000
   50    45    46    35.00000  109.50000
   50    55    56    35.00000  120.00000
   50    55    60    70.00000  124.00000
   55    50    51    35.00000  120.00000
   55    60    61    35.00000  109.50000
   55    60    65    70.00000  112.02700
   55    60    68    90.00000  110.39200
   60    55    56    35.00000  117.00000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    73    58.35000  112.70000
   60    68    69    55.00000  108.50000
   65    60    61    37.50000  110.70000
   65    73    74    37.50000  110.70000
   65    73    75    37.50000  110.70000
   65    73    79    58.35000  112.70000
   67    65    66    33.00000  107.80000
   73    65    66    37.50000  110.70000
   73    65    67    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    85    58.35000  112.70000
   75    73    74    33.00000  107.80000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    85    86    37.50000  110.70000
   79    85    87    37.50000  110.70000
   79    85    88    58.35000  112.70000
   81    79    80    33.00000  107.80000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   85    88    89    37.50000  110.70000
   85    88    90    37.50000  110.70000
   85    88    91    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    37.50000  110.70000
   88    85    87    37.50000  110.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   68    60    61    35.00000  109.50000
   68    60    65    50.00000  109.50000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    57    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    62    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    70    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    76    58.35000  112.70000
   64    62    63    33.00000  107.80000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    82    70.00000  109.69300
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   76    82    83    70.00000  117.00000
   76    82    84    70.00000  117.00000
   78    76    77    33.00000  107.80000
   82    76    77    35.00000  109.50000
   82    76    78    35.00000  109.50000
   84    82    83    80.00000  126.00000
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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    45    43   0.44750  1.0 1.0
   29    33    45    43  -0.17800 -1.0 2.0
   29    33    45    43   0.20200  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    50   0.56750  1.0 1.0
   29    33    45    50  -0.07550 -1.0 2.0
   29    33    45    50   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    45    50    51   0.00000  1.0 1.0
   33    45    50    55   0.09850  1.0 1.0
   33    45    50    55   0.15250 -1.0 2.0
   33    45    50    55  -0.50650  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  -0.11250  1.0 3.0
   34    33    45    43   0.15000  1.0 3.0
   34    33    45    46   0.15000  1.0 3.0
   34    33    45    50   0.15000  1.0 3.0
   38    33   -45    43   0.56750  1.0 1.0
   38    33   -45    43  -0.07550 -1.0 2.0
   38    33   -45    43   0.20000  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    33    45    50   0.34400  1.0 1.0
   38    33    45    50   0.09450 -1.0 2.0
   38    33    45    50   0.11100  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41   -43    45   0.60050  1.0 1.0
   38    41   -43    45   0.05600 -1.0 2.0
   38    41   -43    45   0.26150  1.0 3.0
   38    41    43    47   0.60050  1.0 1.0
   38    41    43    47   0.05600 -1.0 2.0
   38    41    43    47   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -45    33  -0.95700  1.0 1.0
   41    43   -45    33  -0.18200 -1.0 2.0
   41    43   -45    33   0.29450  1.0 3.0
   41    43    45    46  -0.11250  1.0 3.0
   41    43    45    50  -0.98800  1.0 1.0
   41    43    45    50   0.48800 -1.0 2.0
   41    43    45    50   0.76800  1.0 3.0
   41    43    47    48  -0.11250  1.0 3.0
   41    43    47    49  -0.11250  1.0 3.0
   41    43    47    52  -0.95700  1.0 1.0
   41    43    47    52  -0.18200 -1.0 2.0
   41    43    47    52   0.29450  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.30150 -1.0 2.0
   42    41    43    47   0.30150 -1.0 2.0
   43    45    50    51   0.00000  1.0 1.0
   43    45    50    55   0.09850  1.0 1.0
   43    45    50    55   0.15250 -1.0 2.0
   43    45    50    55  -0.50650  1.0 3.0
   43    47    52    53   0.15000  1.0 3.0
   43    47    52    54   0.15000  1.0 3.0
   43    47    52    57   0.56750  1.0 1.0
   43    47    52    57  -0.07550 -1.0 2.0
   43    47    52    57   0.20000  1.0 3.0
   44    43    45    33   0.15000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   45    33    38    39   0.15000  1.0 3.0
   45    33    38    40   0.15000  1.0 3.0
   45    33   -38    41  -0.95700  1.0 1.0
   45    33   -38    41  -0.18200 -1.0 2.0
   45    33   -38    41   0.29450  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    52   0.56750  1.0 1.0
   45    43    47    52  -0.07550 -1.0 2.0
   45    43    47    52   0.20000  1.0 3.0
   45    50    55    56   7.00000 -1.0 2.0
   45    50    55    60   7.00000 -1.0 2.0
   46    45    50    51   0.33100  1.0 3.0
   46    45    50    55   0.00000  1.0 1.0
   50    55    60    61   0.00000  1.0 1.0
   50    55    60    65   0.09850  1.0 1.0
   50    55    60    65   0.15250 -1.0 2.0
   50    55    60    65  -0.50650  1.0 3.0
   50    55    60    68   0.67800  1.0 1.0
   50    55    60    68   0.47050 -1.0 2.0
   50    55    60    68  -0.62500  1.0 3.0
   51    50    55    56   7.00000 -1.0 2.0
   51    50    55    60   7.00000 -1.0 2.0
   55    60    65    66   0.15000  1.0 3.0
   55    60    65    67   0.15000  1.0 3.0
   55    60    65    73   0.34400  1.0 1.0
   55    60    65    73   0.09450 -1.0 2.0
   55    60    65    73   0.11100  1.0 3.0
   55    60    68    69  -0.07800  1.0 1.0
   55    60    68    69  -0.21500 -1.0 2.0
   55    60    68    69  -0.03150  1.0 3.0
   56    55    60    61   0.33100  1.0 3.0
   56    55    60    65   0.00000  1.0 1.0
   56    55    60    68   0.00000  1.0 1.0
   60    65    73    74   0.15000  1.0 3.0
   60    65    73    75   0.15000  1.0 3.0
   60    65    73    79   0.56750  1.0 1.0
   60    65    73    79  -0.07550 -1.0 2.0
   60    65    73    79   0.20000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    73   0.15000  1.0 3.0
   61    60    68    69   0.19450  1.0 3.0
   65    60    68    69  -0.11600  1.0 1.0
   65    60    68    69  -0.09450 -1.0 2.0
   65    60    68    69   0.21250  1.0 3.0
   65    73    79    80   0.15000  1.0 3.0
   65    73    79    81   0.15000  1.0 3.0
   65    73    79    85   0.56750  1.0 1.0
   65    73    79    85  -0.07550 -1.0 2.0
   65    73    79    85   0.20000  1.0 3.0
   66    65    73    74   0.15000  1.0 3.0
   66    65    73    75   0.15000  1.0 3.0
   66    65    73    79   0.15000  1.0 3.0
   67    65    73    74   0.15000  1.0 3.0
   67    65    73    75   0.15000  1.0 3.0
   67    65    73    79   0.15000  1.0 3.0
   73    79    85    86   0.15000  1.0 3.0
   73    79    85    87   0.15000  1.0 3.0
   73    79    85    88   0.56750  1.0 1.0
   73    79    85    88  -0.07550 -1.0 2.0
   73    79    85    88   0.20000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    85   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   75    73    79    85   0.15000  1.0 3.0
   79    85    88    89   0.15000  1.0 3.0
   79    85    88    90   0.15000  1.0 3.0
   79    85    88    91   0.15000  1.0 3.0
   80    79    85    86   0.15000  1.0 3.0
   80    79    85    87   0.15000  1.0 3.0
   80    79    85    88   0.15000  1.0 3.0
   81    79    85    86   0.15000  1.0 3.0
   81    79    85    87   0.15000  1.0 3.0
   81    79    85    88   0.15000  1.0 3.0
   86    85    88    89   0.15000  1.0 3.0
   86    85    88    90   0.15000  1.0 3.0
   86    85    88    91   0.15000  1.0 3.0
   87    85    88    89   0.15000  1.0 3.0
   87    85    88    90   0.15000  1.0 3.0
   87    85    88    91   0.15000  1.0 3.0
   68    60    65    66   0.23400  1.0 3.0
   68    60    65    67   0.23400  1.0 3.0
   68    60    65    73   0.86500  1.0 1.0
   68    60    65    73  -0.17500 -1.0 2.0
   68    60    65    73   0.20800  1.0 3.0
   47    43    45    33   0.56750  1.0 1.0
   47    43    45    33  -0.07550 -1.0 2.0
   47    43    45    33   0.20000  1.0 3.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    50   0.34400  1.0 1.0
   47    43    45    50   0.09450 -1.0 2.0
   47    43    45    50   0.11100  1.0 3.0
   47    52    57    58   0.15000  1.0 3.0
   47    52    57    59   0.15000  1.0 3.0
   47    52    57    62   0.56750  1.0 1.0
   47    52    57    62  -0.07550 -1.0 2.0
   47    52    57    62   0.20000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    57   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    57   0.15000  1.0 3.0
   52    57    62    63   0.15000  1.0 3.0
   52    57    62    64   0.15000  1.0 3.0
   52    57    62    70   0.56750  1.0 1.0
   52    57    62    70  -0.07550 -1.0 2.0
   52    57    62    70   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    62   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    62   0.15000  1.0 3.0
   57    62    70    71   0.15000  1.0 3.0
   57    62    70    72   0.15000  1.0 3.0
   57    62    70    76   0.56750  1.0 1.0
   57    62    70    76  -0.07550 -1.0 2.0
   57    62    70    76   0.20000  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    70   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    70   0.15000  1.0 3.0
   62    70    76    77   0.15000  1.0 3.0
   62    70    76    78   0.15000  1.0 3.0
   62    70    76    82  -1.63150  1.0 1.0
   62    70    76    82  -0.43550 -1.0 2.0
   62    70    76    82   0.24500  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    76   0.15000  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    72   0.15000  1.0 3.0
   64    62    70    76   0.15000  1.0 3.0
   70    76    82    83   0.41150 -1.0 2.0
   70    76    82    84   0.41150 -1.0 2.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    82  -0.11250  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    82  -0.11250  1.0 3.0
   77    76    82    83   0.00000  1.0 1.0
   77    76    82    84   0.00000  1.0 1.0
   78    76    82    83   0.00000  1.0 1.0
   78    76    82    84   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   45    51    50    55  15.00000 -1.0 2.0
   60    56    55    50  15.00000 -1.0 2.0
   83    76    82    84  10.50000 -1.0 2.0
END
