* LIGAND DATABASE FILE (OPLS2005)
*
001      90    89    161    237     474
    1     0 S   NP   _N1_     1    30.30370   100.01100   -20.81782
    2     1 S   H    _HN1     2     1.02932    60.17162   144.08735
    3     1 S   H    _H1_     3     1.02823   113.79367  -118.40182
    4     1 S   H    _H2_     4     1.02854    47.98465   -24.83097
    5     1 S   CT   _CA1     5     1.50435   133.96413    54.16319
    6     5 S   HC   _HA1     6     1.09697   104.60974   130.28468
    7     5 S   CO3  _C1_     7     1.54313   110.89752    14.15595
    8     7 S   O2Z  _O11     8     1.26037   116.62788  -111.04991
    9     7 S   O2Z  _O12     9     1.26546   113.82153    67.48766
   10     5 S   CT   _CB1    10     1.53091   107.02502  -113.71846
   11    10 S   HC   HB11    11     1.09851   109.89638   -43.79404
   12    10 S   HC   HB12    12     1.09758   110.41131    72.91983
   13    10 S   CT   _CG1    13     1.52984   112.10820  -164.16966
   14    13 S   HC   HG11    14     1.09319   111.00008   -63.22201
   15    13 S   HC   HG12    15     1.09630   109.42930    55.93410
   16    13 S   C    _CD1    16     1.51625   111.84402   176.91968
   17    16 S   O    _OE1    17     1.22777   122.96154    22.29706
   18    16 S   N    _N2_    18     1.38696   112.12040  -158.10297
   19    18 S   H    _HN2    19     1.01567   119.12866     2.26417
   20    18 S   CT1  _CA2    20     1.46113   122.98266   176.58602
   21    20 S   HC   _HA2    21     1.09729   109.06972    12.36786
   22    20 S   C    _C2_    22     1.53819   109.90803  -103.43544
   23    22 S   O    _O2_    23     1.23127   121.83446  -156.28553
   24    20 S   CT   _CB2    32     1.53264   111.74549   134.15310
   25    24 S   HC   HB21    33     1.09479   110.07035    60.81794
   26    24 S   HC   HB22    34     1.09545   110.14420   178.34838
   27    22 S   N    _N3_    24     1.38130   114.35482    30.60849
   28    27 S   H    _HN3    25     1.01488   119.59333    -2.55397
   29    24 S   S    _SG2    35     1.82982   112.30858   -63.04545
   30    27 S   CT   _CA3    26     1.45280   123.56476   176.64485
   31    30 S   HC   HA31    27     1.09530   107.25620   -74.65684
   32    30 S   HC   HA32    28     1.09507   108.47752    41.86276
   33    29 S   CT   _C13    36     1.85062   100.09571   111.53898
   34    33 S   HC   _H4_    37     1.09647   106.71451   -43.63258
   35    30 S   CO3  _C3_    29     1.53002   113.77334   164.67640
   36    35 S   O2Z  _O31    30     1.26410   116.00796     9.55635
   37    35 S   O2Z  _O32    31     1.26406   114.46950  -170.52348
   38    33 S   CT   _C14    38     1.54274   109.95035  -161.41902
   39    38 S   HC   _H20    39     1.09567   109.78584  -171.71810
   40    38 S   HC   _H21    40     1.09802   110.72853   -56.34522
   41    33 S   CT   _C12    64     1.54971   109.55938    74.43944
   42    41 S   HC   _H3_    65     1.09632   109.66654   -48.83076
   43    38 S   CM   _C15    41     1.50542   114.05216    65.84108
   44    43 S   HC   _H22    42     1.08891   115.67129   -86.21999
   45    41 S   CT   _C11    66     1.53957   111.87076  -170.24144
   46    45 S   HC   _H18    67     1.09326   110.27134    33.15182
   47    45 S   HC   _H19    68     1.09696   110.61231   -84.44849
   48    41 S   OH   _O35    89     1.42972   109.79939    68.88695
   49    48 S   HO   _H34    90     0.97221   107.62694  -174.50303
   50    43 S   CM   _C16    43     1.34243   127.04954    96.49754
   51    50 S   HC   _H23    44     1.08998   116.77987   176.47341
   52    45 S   CM   _C10    69     1.50618   111.21127   156.14873
   53    52 S   HC   _H17    70     1.08849   115.80895    78.18259
   54    50 S   CT   _C17    45     1.50270   127.19362    -3.75332
   55    54 S   HC   _H24    46     1.09300   111.84782   -12.22737
   56    54 S   HC   _H25    47     1.09676   108.43014   104.54192
   57    52 S   CM   _C9_    71     1.34284   126.66518  -100.71473
   58    57 S   HC   _H16    72     1.08858   117.60212   178.86443
   59    54 S   CM   _C18    48     1.50278   111.30420  -137.02431
   60    59 S   HC   _H26    49     1.09011   114.99543   -71.96985
   61    57 S   CT   _C8_    73     1.50128   126.77214    -0.85180
   62    61 S   HC   _H14    74     1.09696   108.43530  -136.12987
   63    61 S   HC   _H15    75     1.09252   111.18769   -20.13437
   64    59 S   CM   _C19    50     1.34205   128.26059   108.42261
   65    64 S   HC   _H27    51     1.08908   116.70558  -179.69290
   66    61 S   CT   _C7_    76     1.52950   111.75633   102.69207
   67    66 S   HC   _H12    77     1.09715   109.97120   -53.99092
   68    66 S   HC   _H13    78     1.09717   109.73588    63.49150
   69    64 S   CT   _C20    52     1.50080   127.74378    -1.58856
   70    69 S   HC   _H28    53     1.09405   111.12000    -8.65576
   71    69 S   HC   _H29    54     1.09687   108.45945  -124.53767
   72    66 S   CT   _C6_    79     1.53025   110.96900  -174.95508
   73    72 S   HC   _H10    80     1.09678   109.41708    60.06241
   74    72 S   HC   _H11    81     1.09686   109.63667   -57.16785
   75    69 S   CT   _C21    55     1.53217   113.07547   113.67765
   76    75 S   HC   _H30    56     1.09744   109.80942   -57.01026
   77    75 S   HC   _H31    57     1.09584   108.14447  -172.78343
   78    72 S   CT   _C5_    82     1.52761   111.58020  -178.79536
   79    78 S   HC   _H8_    83     1.09613   109.83068    60.02180
   80    78 S   HC   _H9_    84     1.09579   109.94879   -57.75567
   81    75 S   CT   _C22    58     1.52744   113.62525    66.47876
   82    81 S   HC   _H32    59     1.09716   109.40754    52.52458
   83    81 S   HC   _H33    60     1.09618   110.09238   -65.38747
   84    78 S   CT   _C4_    85     1.52047   111.31374  -178.90389
   85    84 S   HC   _H5_    86     1.09483   110.95465    61.61842
   86    84 S   HC   _H6_    87     1.09425   110.29558  -178.58695
   87    84 S   HC   _H7_    88     1.09467   111.03468   -58.89650
   88    81 S   CO3  _C23    61     1.53290   114.91395   173.55223
   89    88 S   O2Z  _O34    62     1.26524   114.02677  -176.13649
   90    88 S   O2Z  _O33    63     1.26142   116.69053     3.95161
  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
  15   8   2   1   1  11   5   4  10   6   7   3   9   5   4   2
   1   7   4   7   3   7   4   3   8   4   7   3   9   5   4   8
   4   9   5   4   9   5   4   9   5   4   8   5   4   6   5   4
   5   4   3   3   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    45    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    50    41    42    45    46    47    52    48    49  
   38    39    40    43    41    42    45    48  
   36    37  
   37  
    0  
   39    40    43    44    50    51    54    41    42    45    48  
   40    43    44    50    41  
   43    44    50    41  
   42    45    46    47    52    53    57    48    49    43  
   45    46    47    52    48    49  
   44    50    51    54    55    56    59  
   50    51    54  
   46    47    52    53    57    58    61    48    49  
   47    52    53    57    48  
   52    53    57    48  
   49    52  
    0  
   51    54    55    56    59    60    64  
   54    55    56    59  
   53    57    58    61    62    63    66  
   57    58    61  
   55    56    59    60    64    65    69  
   56    59    60    64  
   59    60    64  
   58    61    62    63    66    67    68    72  
   61    62    63    66  
   60    64    65    69    70    71    75  
   64    65    69  
   62    63    66    67    68    72    73    74    78  
   63    66    67    68    72  
   66    67    68    72  
   65    69    70    71    75    76    77    81  
   69    70    71    75  
   67    68    72    73    74    78    79    80    84  
   68    72    73    74    78  
   72    73    74    78  
   70    71    75    76    77    81    82    83    88  
   71    75    76    77    81  
   75    76    77    81  
   73    74    78    79    80    84    85    86    87  
   74    78    79    80    84  
   78    79    80    84  
   76    77    81    82    83    88    89    90  
   77    81    82    83    88  
   81    82    83    88  
   79    80    84    85    86    87  
   80    84    85    86    87  
   84    85    86    87  
   82    83    88    89    90  
   83    88    89    90  
   88    89    90  
   85    86    87  
   86    87  
   87  
    0  
   89    90  
   90  
    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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   317.000  1.510
   43    44   340.000  1.080
   43    50   549.000  1.340
   50    51   340.000  1.080
   50    54   317.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   317.000  1.510
   59    60   340.000  1.080
   59    64   549.000  1.340
   64    65   340.000  1.080
   64    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    88   317.000  1.522
   88    89   656.000  1.250
   88    90   656.000  1.250
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    48   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   317.000  1.510
   52    53   340.000  1.080
   52    57   549.000  1.340
   57    58   340.000  1.080
   57    61   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   48    49   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    70.00000  112.02700
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   33    41    48    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    44    35.00000  117.00000
   38    43    50    70.00000  124.00000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    50    51    35.00000  120.00000
   43    50    54    70.00000  124.00000
   50    43    44    35.00000  120.00000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    59    70.00000  110.12100
   54    50    51    35.00000  117.00000
   54    59    60    35.00000  117.00000
   54    59    64    70.00000  124.00000
   56    54    55    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    35.00000  109.50000
   59    64    65    35.00000  120.00000
   59    64    69    70.00000  124.00000
   64    59    60    35.00000  120.00000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    75    70.00000  112.02700
   69    64    65    35.00000  117.00000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    81    58.35000  112.70000
   71    69    70    33.00000  107.80000
   75    69    70    37.50000  110.70000
   75    69    71    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    88    70.00000  109.69300
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    88    89    70.00000  117.00000
   81    88    90    70.00000  117.00000
   83    81    82    33.00000  107.80000
   88    81    82    35.00000  109.50000
   88    81    83    35.00000  109.50000
   90    88    89    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    52    70.00000  112.02700
   41    48    49    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    52    53    35.00000  117.00000
   45    52    57    70.00000  124.00000
   47    45    46    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    47    35.00000  109.50000
   52    57    58    35.00000  120.00000
   52    57    61    70.00000  124.00000
   57    52    53    35.00000  120.00000
   57    61    62    35.00000  109.50000
   57    61    63    35.00000  109.50000
   57    61    66    70.00000  112.02700
   61    57    58    35.00000  117.00000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    72    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    78    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    84    58.35000  112.70000
   74    72    73    33.00000  107.80000
   78    72    73    37.50000  110.70000
   78    72    74    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    87    37.50000  110.70000
   80    78    79    33.00000  107.80000
   84    78    79    37.50000  110.70000
   84    78    80    37.50000  110.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   48    41    42    35.00000  109.50000
   48    41    45    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    48   0.56750  1.0 1.0
   29    33    41    48  -0.07550 -1.0 2.0
   29    33    41    48   0.20000  1.0 3.0
   33    38    43    44   0.00000  1.0 1.0
   33    38    43    50   0.09850  1.0 1.0
   33    38    43    50   0.15250 -1.0 2.0
   33    38    43    50  -0.50650  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    52   0.34400  1.0 1.0
   33    41    45    52   0.09450 -1.0 2.0
   33    41    45    52   0.11100  1.0 3.0
   33    41    48    49  -0.11600  1.0 1.0
   33    41    48    49  -0.09450 -1.0 2.0
   33    41    48    49   0.21250  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    43   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    48   0.23400  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    33    41    48   0.86500  1.0 1.0
   38    33    41    48  -0.17500 -1.0 2.0
   38    33    41    48   0.20800  1.0 3.0
   38    43    50    51   7.00000 -1.0 2.0
   38    43    50    54   7.00000 -1.0 2.0
   39    38    43    44   0.33100  1.0 3.0
   39    38    43    50   0.00000  1.0 1.0
   40    38    43    44   0.33100  1.0 3.0
   40    38    43    50   0.00000  1.0 1.0
   43    50    54    55   0.00000  1.0 1.0
   43    50    54    56   0.00000  1.0 1.0
   43    50    54    59  -0.28300  1.0 1.0
   43    50    54    59   0.26700 -1.0 2.0
   43    50    54    59  -0.63300  1.0 3.0
   44    43    50    51   7.00000 -1.0 2.0
   44    43    50    54   7.00000 -1.0 2.0
   50    54    59    60   0.00000  1.0 1.0
   50    54    59    64  -0.28300  1.0 1.0
   50    54    59    64   0.26700 -1.0 2.0
   50    54    59    64  -0.63300  1.0 3.0
   51    50    54    55   0.33100  1.0 3.0
   51    50    54    56   0.33100  1.0 3.0
   51    50    54    59   0.00000  1.0 1.0
   54    59    64    65   7.00000 -1.0 2.0
   54    59    64    69   7.00000 -1.0 2.0
   55    54    59    60   0.33100  1.0 3.0
   55    54    59    64   0.00000  1.0 1.0
   56    54    59    60   0.33100  1.0 3.0
   56    54    59    64   0.00000  1.0 1.0
   59    64    69    70   0.00000  1.0 1.0
   59    64    69    71   0.00000  1.0 1.0
   59    64    69    75   0.09850  1.0 1.0
   59    64    69    75   0.15250 -1.0 2.0
   59    64    69    75  -0.50650  1.0 3.0
   60    59    64    65   7.00000 -1.0 2.0
   60    59    64    69   7.00000 -1.0 2.0
   64    69    75    76   0.15000  1.0 3.0
   64    69    75    77   0.15000  1.0 3.0
   64    69    75    81   0.34400  1.0 1.0
   64    69    75    81   0.09450 -1.0 2.0
   64    69    75    81   0.11100  1.0 3.0
   65    64    69    70   0.33100  1.0 3.0
   65    64    69    71   0.33100  1.0 3.0
   65    64    69    75   0.00000  1.0 1.0
   69    75    81    82   0.15000  1.0 3.0
   69    75    81    83   0.15000  1.0 3.0
   69    75    81    88  -1.63150  1.0 1.0
   69    75    81    88  -0.43550 -1.0 2.0
   69    75    81    88   0.24500  1.0 3.0
   70    69    75    76   0.15000  1.0 3.0
   70    69    75    77   0.15000  1.0 3.0
   70    69    75    81   0.15000  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    81   0.15000  1.0 3.0
   75    81    88    89   0.41150 -1.0 2.0
   75    81    88    90   0.41150 -1.0 2.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   76    75    81    88  -0.11250  1.0 3.0
   77    75    81    82   0.15000  1.0 3.0
   77    75    81    83   0.15000  1.0 3.0
   77    75    81    88  -0.11250  1.0 3.0
   82    81    88    89   0.00000  1.0 1.0
   82    81    88    90   0.00000  1.0 1.0
   83    81    88    89   0.00000  1.0 1.0
   83    81    88    90   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.34400  1.0 1.0
   41    33    38    43   0.09450 -1.0 2.0
   41    33    38    43   0.11100  1.0 3.0
   41    45    52    53   0.00000  1.0 1.0
   41    45    52    57   0.09850  1.0 1.0
   41    45    52    57   0.15250 -1.0 2.0
   41    45    52    57  -0.50650  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    52   0.15000  1.0 3.0
   42    41    48    49   0.19450  1.0 3.0
   45    41    48    49  -0.11600  1.0 1.0
   45    41    48    49  -0.09450 -1.0 2.0
   45    41    48    49   0.21250  1.0 3.0
   45    52    57    58   7.00000 -1.0 2.0
   45    52    57    61   7.00000 -1.0 2.0
   46    45    52    53   0.33100  1.0 3.0
   46    45    52    57   0.00000  1.0 1.0
   47    45    52    53   0.33100  1.0 3.0
   47    45    52    57   0.00000  1.0 1.0
   52    57    61    62   0.00000  1.0 1.0
   52    57    61    63   0.00000  1.0 1.0
   52    57    61    66   0.09850  1.0 1.0
   52    57    61    66   0.15250 -1.0 2.0
   52    57    61    66  -0.50650  1.0 3.0
   53    52    57    58   7.00000 -1.0 2.0
   53    52    57    61   7.00000 -1.0 2.0
   57    61    66    67   0.15000  1.0 3.0
   57    61    66    68   0.15000  1.0 3.0
   57    61    66    72   0.34400  1.0 1.0
   57    61    66    72   0.09450 -1.0 2.0
   57    61    66    72   0.11100  1.0 3.0
   58    57    61    62   0.33100  1.0 3.0
   58    57    61    63   0.33100  1.0 3.0
   58    57    61    66   0.00000  1.0 1.0
   61    66    72    73   0.15000  1.0 3.0
   61    66    72    74   0.15000  1.0 3.0
   61    66    72    78   0.56750  1.0 1.0
   61    66    72    78  -0.07550 -1.0 2.0
   61    66    72    78   0.20000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   62    61    66    72   0.15000  1.0 3.0
   63    61    66    67   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   63    61    66    72   0.15000  1.0 3.0
   66    72    78    79   0.15000  1.0 3.0
   66    72    78    80   0.15000  1.0 3.0
   66    72    78    84   0.56750  1.0 1.0
   66    72    78    84  -0.07550 -1.0 2.0
   66    72    78    84   0.20000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    78   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    78   0.15000  1.0 3.0
   72    78    84    85   0.15000  1.0 3.0
   72    78    84    86   0.15000  1.0 3.0
   72    78    84    87   0.15000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    84   0.15000  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    84   0.15000  1.0 3.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   79    78    84    87   0.15000  1.0 3.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.15000  1.0 3.0
   80    78    84    87   0.15000  1.0 3.0
   48    41    45    46   0.23400  1.0 3.0
   48    41    45    47   0.23400  1.0 3.0
   48    41    45    52   1.05650  1.0 1.0
   48    41    45    52   0.15600 -1.0 2.0
   48    41    45    52   0.53150  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
   38    44    43    50  15.00000 -1.0 2.0
   54    51    50    43  15.00000 -1.0 2.0
   54    60    59    64  15.00000 -1.0 2.0
   69    65    64    59  15.00000 -1.0 2.0
   89    81    88    90  10.50000 -1.0 2.0
   45    53    52    57  15.00000 -1.0 2.0
   61    58    57    52  15.00000 -1.0 2.0
END
