* LIGAND DATABASE FILE (OPLS2005)
*
001      90    89    161    237     474
    1     0 S   NP   _N1_     1    29.71586    95.69341   -17.68848
    2     1 S   H    _HN1     2     1.02739    47.59203   133.05905
    3     1 S   H    _H1_     3     1.02727    63.45003   -68.14260
    4     1 S   H    _H2_     4     1.03580   104.96419    33.61900
    5     1 S   CT   _CA1     5     1.50051   143.21254  -160.38577
    6     5 S   HC   _HA1     6     1.09580   104.98410    20.58613
    7     5 S   CO3  _C1_     7     1.53987   113.05694   -98.83901
    8     7 S   O2Z  _O11     8     1.26286   115.44247   -31.06578
    9     7 S   O2Z  _O12     9     1.26390   115.09641   148.18817
   10     5 S   CT   _CB1    10     1.53214   107.13614   138.43546
   11    10 S   HC   HB11    11     1.09802   109.50730   -45.85323
   12    10 S   HC   HB12    12     1.09792   110.21784    70.77061
   13    10 S   CT   _CG1    13     1.52823   112.90357  -167.24852
   14    13 S   HC   HG11    14     1.09207   110.05572   -60.23849
   15    13 S   HC   HG12    15     1.09610   110.37575    58.55042
   16    13 S   C    _CD1    16     1.51786   112.11349   178.35527
   17    16 S   O    _OE1    17     1.22755   122.83179   -29.58891
   18    16 S   N    _N2_    18     1.38512   112.00227   152.47988
   19    18 S   H    _HN2    19     1.01609   119.06396    -1.61507
   20    18 S   CT1  _CA2    20     1.46189   123.65680   178.98644
   21    20 S   HC   _HA2    21     1.09731   109.44541   -13.24631
   22    20 S   C    _C2_    22     1.53481   107.97893  -128.71319
   23    22 S   O    _O2_    23     1.23010   122.39251  -145.30324
   24    20 S   CT   _CB2    32     1.53312   111.27975   109.18079
   25    24 S   HC   HB21    33     1.09526   109.80015    52.40668
   26    24 S   HC   HB22    34     1.09506   110.72475   170.61793
   27    22 S   N    _N3_    24     1.38570   113.31887    42.12851
   28    27 S   H    _HN3    25     1.01526   118.86945    -0.67695
   29    24 S   S    _SG2    35     1.82877   111.76367   -70.79167
   30    27 S   CT   _CA3    26     1.45433   123.39188   175.18696
   31    30 S   HC   HA31    27     1.09530   109.13340    26.28772
   32    30 S   HC   HA32    28     1.09493   107.14317   143.26123
   33    29 S   CT   _C12    36     1.86591    99.88895   135.99783
   34    33 S   HC   _H4_    37     1.09917   107.79983    30.32911
   35    30 S   CO3  _C3_    29     1.52927   113.20577   -97.12877
   36    35 S   O2Z  _O31    30     1.26397   115.45140   -43.96110
   37    35 S   O2Z  _O32    31     1.26365   114.96178   137.00570
   38    33 S   CM   _C11    38     1.51465   105.26526   -87.22470
   39    38 S   HC   _H18    39     1.08864   116.72774   -64.62007
   40    33 S   CT   _C13    62     1.57556   111.28493   150.07982
   41    40 S   OM   _O35    63     1.32992   107.71856   -66.59517
   42    40 S   HC   _H5_    64     1.10183   106.49302    63.12593
   43    38 S   CM   _C10    40     1.34309   124.22536   114.46314
   44    43 S   HC   _H17    41     1.08710   119.48274     0.99583
   45    40 S   CT   _C14    65     1.56717   110.35217   177.00278
   46    45 S   HC   _H19    66     1.09251   108.99805   -52.29667
   47    45 S   HC   _H20    67     1.10010   110.56857    63.27759
   48    43 S   CT   _C9_    42     1.50080   123.40328  -176.93024
   49    48 S   HC   _H3_    43     1.09592   110.32279     5.44622
   50    45 S   CM   _C15    68     1.51228   114.08142  -174.92136
   51    50 S   HC   _H21    69     1.08936   115.19805   -58.44044
   52    48 S   CT   _C8_    44     1.53179   113.92203  -118.57186
   53    52 S   HC   _H15    45     1.09820   108.45606  -172.81264
   54    52 S   HC   _H16    46     1.09821   109.90683   -58.12415
   55    48 S   OH   _O36    60     1.42848   107.02735   122.13990
   56    55 S   HO   _H33    61     0.97558   106.96473  -162.31010
   57    50 S   CM   _C16    70     1.34243   128.35042   123.40700
   58    57 S   HC   _H22    71     1.08978   116.46423   178.04585
   59    52 S   CT   _C7_    47     1.52897   113.39067    65.32929
   60    59 S   HC   _H13    48     1.09637   109.60910    52.55800
   61    59 S   HC   _H14    49     1.09539   109.84706   -65.25685
   62    57 S   CT   _C17    72     1.49999   128.10233    -0.04846
   63    62 S   HC   _H23    73     1.09039   112.32560    -3.15908
   64    62 S   HC   _H24    74     1.09712   107.86220   112.90716
   65    59 S   CT   _C6_    50     1.53002   111.19077   173.63216
   66    65 S   HC   _H11    51     1.09683   109.65134    57.27922
   67    65 S   HC   _H12    52     1.09685   109.48792   -59.99289
   68    62 S   CM   _C18    75     1.50112   111.72497  -129.01952
   69    68 S   HC   _H25    76     1.08956   115.26862   -66.73854
   70    65 S   CT   _C5_    53     1.52797   111.35852   178.66133
   71    70 S   HC   _H9_    54     1.09621   109.98083    56.91811
   72    70 S   HC   _H10    55     1.09570   109.67108   -60.90128
   73    68 S   CM   _C19    77     1.34178   127.85079   115.42479
   74    73 S   HC   _H26    78     1.08935   116.74061   177.32387
   75    70 S   CT   _C4_    56     1.52009   111.54842   178.22370
   76    75 S   HC   _H6_    57     1.09467   111.00252    59.98802
   77    75 S   HC   _H7_    58     1.09466   111.00201   -60.53887
   78    75 S   HC   _H8_    59     1.09450   110.24602   179.72804
   79    73 S   CT   _C20    79     1.50213   127.79286    -2.23318
   80    79 S   HC   _H27    80     1.09416   111.91677   -11.23943
   81    79 S   HC   _H28    81     1.09652   108.11806   106.77957
   82    79 S   CT   _C21    82     1.53202   110.93667  -133.09640
   83    82 S   HC   _H29    83     1.09786   109.84136   -53.78312
   84    82 S   HC   _H30    84     1.09762   109.57562    63.12286
   85    82 S   CT   _C22    85     1.52558   111.57451  -175.04928
   86    85 S   HC   _H31    86     1.09706   109.30721    53.32508
   87    85 S   HC   _H32    87     1.09639   109.85325   -64.21501
   88    85 S   CO3  _C23    88     1.53183   114.41357   174.32101
   89    88 S   O2Z  _O34    89     1.26105   116.72207    17.40587
   90    88 S   O2Z  _O33    90     1.26593   114.12353  -162.70487
  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   9   5   4   3
  13   7   2   1   1  11   4   9   5   4   9   4   7   4   3  10
   6   7   3  11   6   5   2   1   7   4   9   5   4   7   4   3
   9   5   4   7   3   6   5   4   8   4   3   2   1   1   9   5
   4   8   5   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    48    40    41    42    45    46    47    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    48    49    52    55    40    41    42    45  
   43    44    48    40  
   41    42    45    46    47    50    51    57    43  
   42    45    46    47    50  
   45    46    47    50  
   44    48    49    52    53    54    59    55    56  
   48    49    52    55  
   46    47    50    51    57    58    62  
   47    50    51    57  
   50    51    57  
   49    52    53    54    59    60    61    65    55    56  
   52    53    54    59    55    56  
   51    57    58    62    63    64    68  
   57    58    62  
   53    54    59    60    61    65    66    67    70    55    56  
   54    59    60    61    65    55  
   59    60    61    65    55  
   56    59  
    0  
   58    62    63    64    68    69    73  
   62    63    64    68  
   60    61    65    66    67    70    71    72    75  
   61    65    66    67    70  
   65    66    67    70  
   63    64    68    69    73    74    79  
   64    68    69    73  
   68    69    73  
   66    67    70    71    72    75    76    77    78  
   67    70    71    72    75  
   70    71    72    75  
   69    73    74    79    80    81    82  
   73    74    79  
   71    72    75    76    77    78  
   72    75    76    77    78  
   75    76    77    78  
   74    79    80    81    82    83    84    85  
   79    80    81    82  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.3810   1.2100   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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    48   317.000  1.510
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    55   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   55    56   553.000  0.945
   40    41   570.000  1.307
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.510
   50    51   340.000  1.080
   50    57   549.000  1.340
   57    58   340.000  1.080
   57    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   317.000  1.510
   68    69   340.000  1.080
   68    73   549.000  1.340
   73    74   340.000  1.080
   73    79   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   317.000  1.522
   88    89   656.000  1.250
   88    90   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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    40    45    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    48    70.00000  124.00000
   43    38    39    35.00000  120.00000
   43    48    49    35.00000  109.50000
   43    48    52    70.00000  112.02700
   43    48    55    90.00000  110.39200
   48    43    44    35.00000  117.00000
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    59    58.35000  112.70000
   48    55    56    55.00000  108.50000
   52    48    49    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    65    58.35000  112.70000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    70    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    75    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    37.50000  110.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   55    48    49    35.00000  109.50000
   55    48    52    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    70.00000  112.02700
   42    40    41    45.00000  125.66300
   45    40    41    50.00000  109.50000
   45    40    42    37.50000  110.70000
   45    50    51    35.00000  117.00000
   45    50    57    70.00000  124.00000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    57    58    35.00000  120.00000
   50    57    62    70.00000  124.00000
   57    50    51    35.00000  120.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    68    70.00000  110.12100
   62    57    58    35.00000  117.00000
   62    68    69    35.00000  117.00000
   62    68    73    70.00000  124.00000
   64    62    63    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    35.00000  109.50000
   68    73    74    35.00000  120.00000
   68    73    79    70.00000  124.00000
   73    68    69    35.00000  120.00000
   73    79    80    35.00000  109.50000
   73    79    81    35.00000  109.50000
   73    79    82    70.00000  112.02700
   79    73    74    35.00000  117.00000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    70.00000  109.69300
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   85    88    89    70.00000  117.00000
   85    88    90    70.00000  117.00000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   90    88    89    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    50   0.34400  1.0 1.0
   33    40    45    50   0.09450 -1.0 2.0
   33    40    45    50   0.11100  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45   0.15000  1.0 3.0
   38    33    40    41   0.61850  1.0 1.0
   38    33    40    41  -0.22750 -1.0 2.0
   38    33    40    41   0.15300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45   0.34400  1.0 1.0
   38    33    40    45   0.09450 -1.0 2.0
   38    33    40    45   0.11100  1.0 3.0
   38    43    48    49   0.00000  1.0 1.0
   38    43    48    52   0.09850  1.0 1.0
   38    43    48    52   0.15250 -1.0 2.0
   38    43    48    52  -0.50650  1.0 3.0
   38    43    48    55   0.67800  1.0 1.0
   38    43    48    55   0.47050 -1.0 2.0
   38    43    48    55  -0.62500  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    48   7.00000 -1.0 2.0
   43    48    52    53   0.15000  1.0 3.0
   43    48    52    54   0.15000  1.0 3.0
   43    48    52    59   0.34400  1.0 1.0
   43    48    52    59   0.09450 -1.0 2.0
   43    48    52    59   0.11100  1.0 3.0
   43    48    55    56  -0.07800  1.0 1.0
   43    48    55    56  -0.21500 -1.0 2.0
   43    48    55    56  -0.03150  1.0 3.0
   44    43    48    49   0.33100  1.0 3.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    55   0.00000  1.0 1.0
   48    52    59    60   0.15000  1.0 3.0
   48    52    59    61   0.15000  1.0 3.0
   48    52    59    65   0.56750  1.0 1.0
   48    52    59    65  -0.07550 -1.0 2.0
   48    52    59    65   0.20000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    59   0.15000  1.0 3.0
   49    48    55    56   0.19450  1.0 3.0
   52    48    55    56  -0.11600  1.0 1.0
   52    48    55    56  -0.09450 -1.0 2.0
   52    48    55    56   0.21250  1.0 3.0
   52    59    65    66   0.15000  1.0 3.0
   52    59    65    67   0.15000  1.0 3.0
   52    59    65    70   0.56750  1.0 1.0
   52    59    65    70  -0.07550 -1.0 2.0
   52    59    65    70   0.20000  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    65   0.15000  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    65   0.15000  1.0 3.0
   59    65    70    71   0.15000  1.0 3.0
   59    65    70    72   0.15000  1.0 3.0
   59    65    70    75   0.56750  1.0 1.0
   59    65    70    75  -0.07550 -1.0 2.0
   59    65    70    75   0.20000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    70   0.15000  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    70   0.15000  1.0 3.0
   65    70    75    76   0.15000  1.0 3.0
   65    70    75    77   0.15000  1.0 3.0
   65    70    75    78   0.15000  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    75   0.15000  1.0 3.0
   67    65    70    71   0.15000  1.0 3.0
   67    65    70    72   0.15000  1.0 3.0
   67    65    70    75   0.15000  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.15000  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    78   0.15000  1.0 3.0
   55    48    52    53   0.23400  1.0 3.0
   55    48    52    54   0.23400  1.0 3.0
   55    48    52    59   0.86500  1.0 1.0
   55    48    52    59  -0.17500 -1.0 2.0
   55    48    52    59   0.20800  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    50    51   0.00000  1.0 1.0
   40    45    50    57   0.09850  1.0 1.0
   40    45    50    57   0.15250 -1.0 2.0
   40    45    50    57  -0.50650  1.0 3.0
   41    40    45    46   0.23400  1.0 3.0
   41    40    45    47   0.23400  1.0 3.0
   41    40    45    50   0.61850  1.0 1.0
   41    40    45    50  -0.22750 -1.0 2.0
   41    40    45    50   0.15300  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    50   0.15000  1.0 3.0
   45    50    57    58   7.00000 -1.0 2.0
   45    50    57    62   7.00000 -1.0 2.0
   46    45    50    51   0.33100  1.0 3.0
   46    45    50    57   0.00000  1.0 1.0
   47    45    50    51   0.33100  1.0 3.0
   47    45    50    57   0.00000  1.0 1.0
   50    57    62    63   0.00000  1.0 1.0
   50    57    62    64   0.00000  1.0 1.0
   50    57    62    68  -0.28300  1.0 1.0
   50    57    62    68   0.26700 -1.0 2.0
   50    57    62    68  -0.63300  1.0 3.0
   51    50    57    58   7.00000 -1.0 2.0
   51    50    57    62   7.00000 -1.0 2.0
   57    62    68    69   0.00000  1.0 1.0
   57    62    68    73  -0.28300  1.0 1.0
   57    62    68    73   0.26700 -1.0 2.0
   57    62    68    73  -0.63300  1.0 3.0
   58    57    62    63   0.33100  1.0 3.0
   58    57    62    64   0.33100  1.0 3.0
   58    57    62    68   0.00000  1.0 1.0
   62    68    73    74   7.00000 -1.0 2.0
   62    68    73    79   7.00000 -1.0 2.0
   63    62    68    69   0.33100  1.0 3.0
   63    62    68    73   0.00000  1.0 1.0
   64    62    68    69   0.33100  1.0 3.0
   64    62    68    73   0.00000  1.0 1.0
   68    73    79    80   0.00000  1.0 1.0
   68    73    79    81   0.00000  1.0 1.0
   68    73    79    82   0.09850  1.0 1.0
   68    73    79    82   0.15250 -1.0 2.0
   68    73    79    82  -0.50650  1.0 3.0
   69    68    73    74   7.00000 -1.0 2.0
   69    68    73    79   7.00000 -1.0 2.0
   73    79    82    83   0.15000  1.0 3.0
   73    79    82    84   0.15000  1.0 3.0
   73    79    82    85   0.34400  1.0 1.0
   73    79    82    85   0.09450 -1.0 2.0
   73    79    82    85   0.11100  1.0 3.0
   74    73    79    80   0.33100  1.0 3.0
   74    73    79    81   0.33100  1.0 3.0
   74    73    79    82   0.00000  1.0 1.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88  -1.63150  1.0 1.0
   79    82    85    88  -0.43550 -1.0 2.0
   79    82    85    88   0.24500  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   82    85    88    89   0.41150 -1.0 2.0
   82    85    88    90   0.41150 -1.0 2.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88  -0.11250  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88  -0.11250  1.0 3.0
   86    85    88    89   0.00000  1.0 1.0
   86    85    88    90   0.00000  1.0 1.0
   87    85    88    89   0.00000  1.0 1.0
   87    85    88    90   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
   33    39    38    43  15.00000 -1.0 2.0
   48    44    43    38  15.00000 -1.0 2.0
   45    51    50    57  15.00000 -1.0 2.0
   62    58    57    50  15.00000 -1.0 2.0
   62    69    68    73  15.00000 -1.0 2.0
   79    74    73    68  15.00000 -1.0 2.0
   89    85    88    90  10.50000 -1.0 2.0
END
