* LIGAND DATABASE FILE (OPLS2005)
*
001      89    88    160    234     469
    1     0 S   NP   _N1_     1    29.21276    97.49554   -20.85972
    2     1 S   H    _HN1     2     1.02802   104.20569  -108.94348
    3     1 S   H    _H1_     3     1.02935    62.03174    -5.44302
    4     1 S   H    _H2_     4     1.02819    48.98875   149.57286
    5     1 S   CT   _CA1     5     1.50155   143.15563    81.79344
    6     5 S   HC   _HA1     6     1.09573   105.14333   107.85866
    7     5 S   CO3  _C1_     7     1.53779   112.12256   -12.34661
    8     7 S   O2Z  _O11     8     1.26395   115.03522   -48.74310
    9     7 S   O2Z  _O12     9     1.26207   114.96366   129.88152
   10     5 S   CT   _CB1    10     1.53029   107.32933  -134.22493
   11    10 S   HC   HB11    11     1.09851   109.48868   -47.71039
   12    10 S   HC   HB12    12     1.09801   110.52844    68.95107
   13    10 S   CT   _CG1    13     1.53016   112.52632  -168.45708
   14    13 S   HC   HG11    14     1.09465   110.78797   -66.17831
   15    13 S   HC   HG12    15     1.09629   109.48999    52.99712
   16    13 S   C    _CD1    16     1.51843   111.55768   173.55996
   17    16 S   O    _OE1    17     1.22822   122.91189    18.58945
   18    16 S   N    _N2_    18     1.38515   112.23338  -161.39826
   19    18 S   H    _HN2    19     1.02052   119.01427     0.19180
   20    18 S   CT1  _CA2    20     1.46084   123.47575   175.02689
   21    20 S   HC   _HA2    21     1.09742   109.04488     9.10845
   22    20 S   C    _C2_    22     1.53783   109.08851  -106.27366
   23    22 S   O    _O2_    23     1.23114   122.17321  -150.69136
   24    20 S   CT   _CB2    32     1.53275   112.08768   130.92373
   25    24 S   HC   HB21    33     1.09526   110.43299    61.86475
   26    24 S   HC   HB22    34     1.09553   110.03902   179.45751
   27    22 S   N    _N3_    24     1.38321   113.95941    37.17336
   28    27 S   H    _HN3    25     1.01519   119.48416    -4.67462
   29    24 S   S    _SG2    35     1.82974   111.80361   -62.04560
   30    27 S   CT   _CA3    26     1.45256   123.44965   176.07065
   31    30 S   HC   HA31    27     1.09543   107.44017   -66.84261
   32    30 S   HC   HA32    28     1.09489   108.17095    49.57213
   33    29 S   CT   _C9_    36     1.85861    99.68091   115.19092
   34    33 S   HC   _H3_    37     1.09601   105.18982   -37.19096
   35    30 S   CO3  _C3_    29     1.52972   114.05480   171.92311
   36    35 S   O2Z  _O31    30     1.26383   116.12940     5.18999
   37    35 S   O2Z  _O32    31     1.26444   114.40778  -174.97297
   38    33 S   CT   _C8_    38     1.54861   110.03615  -151.50113
   39    38 S   HC   _H14    39     1.09614   109.31516  -171.45068
   40    38 S   HC   _H15    40     1.09744   110.84124   -54.24325
   41    33 S   CT   _C10    54     1.57407   110.53362    79.45475
   42    41 S   OM   _O35    55     1.32701   110.29716    74.37877
   43    41 S   HC   _H4_    56     1.10015   105.22668   -53.84224
   44    38 S   CT   _C7_    41     1.53574   112.96693    68.97553
   45    44 S   HC   _H12    42     1.09684   109.23173    56.64915
   46    44 S   HC   _H13    43     1.09531   110.58694   -61.14928
   47    41 S   CT   _C11    57     1.56163   112.33041  -166.87593
   48    47 S   HC   _H16    58     1.10015   110.10784   178.61069
   49    47 S   HC   _H17    59     1.09948   111.32423   -65.76593
   50    44 S   CT   _C6_    44     1.52997   111.42420   177.59890
   51    50 S   HC   _H10    45     1.09674   109.70266   -57.29976
   52    50 S   HC   _H11    46     1.09672   109.55337    60.11514
   53    47 S   CM   _C12    60     1.50669   114.24344    56.16246
   54    53 S   HC   _H18    61     1.08866   115.68530  -102.95328
   55    50 S   CT   _C5_    47     1.52835   111.07450  -178.53353
   56    55 S   HC   _H8_    48     1.09626   109.95185   -57.98096
   57    55 S   HC   _H9_    49     1.09571   109.64488    59.69680
   58    53 S   CM   _C13    62     1.34237   126.84434    75.30509
   59    58 S   HC   _H19    63     1.08883   117.10083  -177.50323
   60    55 S   CT   _C4_    50     1.51982   111.61840  -179.31272
   61    60 S   HC   _H5_    51     1.09466   111.00268   -60.07003
   62    60 S   HC   _H6_    52     1.09452   110.23792  -179.79537
   63    60 S   HC   _H7_    53     1.09464   110.99997    60.46192
   64    58 S   CT   _C14    64     1.50047   126.53925    -0.50937
   65    64 S   HC   _H20    65     1.09518   111.49551    17.25093
   66    64 S   HC   _H21    66     1.09331   107.98378   -99.11892
   67    64 S   CM   _C15    67     1.50219   111.63091   137.55043
   68    67 S   HC   _H22    68     1.08935   115.31857   -66.22226
   69    67 S   CM   _C16    69     1.34319   127.52829   114.82967
   70    69 S   HC   _H23    70     1.08943   116.86357   178.45782
   71    69 S   CT   _C17    71     1.50121   127.49656    -0.59380
   72    71 S   HC   _H24    72     1.09239   112.70073    -0.96246
   73    71 S   HC   _H25    73     1.09727   108.14006   115.04661
   74    71 S   CM   _C18    74     1.50168   111.93753  -126.28394
   75    74 S   HC   _H26    75     1.08900   115.58462   -76.87070
   76    74 S   CM   _C19    76     1.34244   127.05576   105.85755
   77    76 S   HC   _H27    77     1.08886   117.04026   176.35799
   78    76 S   CT   _C20    78     1.50373   126.76830    -4.09405
   79    78 S   HC   _H28    79     1.09541   108.54897    95.77394
   80    78 S   HC   _H29    80     1.09455   110.92631   -22.30998
   81    78 S   CT   _C21    81     1.53459   110.98741  -144.19531
   82    81 S   HC   _H30    82     1.09708   109.86264    55.07064
   83    81 S   HC   _H31    83     1.09775   108.98635   -61.36616
   84    81 S   CT   _C22    84     1.52592   112.42942   178.62257
   85    84 S   HC   _H32    85     1.09691   109.23262   166.68498
   86    84 S   HC   _H33    86     1.09594   110.53771    49.41672
   87    84 S   CO3  _C23    87     1.52844   112.29601   -74.69607
   88    87 S   O2Z  _O34    88     1.26278   115.53343   -58.32642
   89    87 S   O2Z  _O33    89     1.26295   114.83930   122.51202
  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  13   6   5   9   5   4   9   5   4   7   4
   3   9   5   4   7   3   6   5   4   7   4   3   2   1   1   7
   4   3   7   3   7   4   7   4   3   7   3   8   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    46    50    41    42    43    47    48    49    53  
   38    39    40    44    41    42    43    47  
   36    37  
   37  
    0  
   39    40    44    45    46    50    51    52    55    41    42    43    47  
   40    44    45    46    50    41  
   44    45    46    50    41  
   42    43    47    48    49    53    54    58    44  
   43    47    48    49    53  
   47    48    49    53  
   45    46    50    51    52    55    56    57    60  
   46    50    51    52    55  
   50    51    52    55  
   48    49    53    54    58    59    64  
   49    53    54    58  
   53    54    58  
   51    52    55    56    57    60    61    62    63  
   52    55    56    57    60  
   55    56    57    60  
   54    58    59    64    65    66    67  
   58    59    64  
   56    57    60    61    62    63  
   57    60    61    62    63  
   60    61    62    63  
   59    64    65    66    67    68    69  
   64    65    66    67  
   61    62    63  
   62    63  
   63  
    0  
   65    66    67    68    69    70    71  
   66    67    68    69  
   67    68    69  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71    72    73    74    75    76  
   71    72    73    74  
   72    73    74    75    76    77    78  
   73    74    75    76  
   74    75    76  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78    79    80    81    82    83    84  
   78    79    80    81  
   79    80    81    82    83    84    85    86    87  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   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    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   41    42   570.000  1.307
   41    43   340.000  1.090
   41    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   317.000  1.510
   53    54   340.000  1.080
   53    58   549.000  1.340
   58    59   340.000  1.080
   58    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   317.000  1.510
   67    68   340.000  1.080
   67    69   549.000  1.340
   69    70   340.000  1.080
   69    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   317.000  1.510
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   340.000  1.080
   76    78   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   317.000  1.522
   87    88   656.000  1.250
   87    89   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   33    41    47    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    44    45    37.50000  110.70000
   38    44    46    37.50000  110.70000
   38    44    50    58.35000  112.70000
   40    38    39    33.00000  107.80000
   44    38    39    37.50000  110.70000
   44    38    40    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    52    37.50000  110.70000
   44    50    55    58.35000  112.70000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   57    55    56    33.00000  107.80000
   60    55    56    37.50000  110.70000
   60    55    57    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    53    70.00000  112.02700
   43    41    42    45.00000  125.66300
   47    41    42    50.00000  109.50000
   47    41    43    37.50000  110.70000
   47    53    54    35.00000  117.00000
   47    53    58    70.00000  124.00000
   49    47    48    33.00000  107.80000
   53    47    48    35.00000  109.50000
   53    47    49    35.00000  109.50000
   53    58    59    35.00000  120.00000
   53    58    64    70.00000  124.00000
   58    53    54    35.00000  120.00000
   58    64    65    35.00000  109.50000
   58    64    66    35.00000  109.50000
   58    64    67    70.00000  110.12100
   64    58    59    35.00000  117.00000
   64    67    68    35.00000  117.00000
   64    67    69    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   67    69    70    35.00000  120.00000
   67    69    71    70.00000  124.00000
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    70.00000  110.12100
   71    69    70    35.00000  117.00000
   71    74    75    35.00000  117.00000
   71    74    76    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   74    76    77    35.00000  120.00000
   74    76    78    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  109.50000
   76    78    80    35.00000  109.50000
   76    78    81    70.00000  112.02700
   78    76    77    35.00000  117.00000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    70.00000  109.69300
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    70.00000  117.00000
   84    87    89    70.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   89    87    88    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    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    44   0.44750  1.0 1.0
   29    33    38    44  -0.17800 -1.0 2.0
   29    33    38    44   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    47   0.44750  1.0 1.0
   29    33    41    47  -0.17800 -1.0 2.0
   29    33    41    47   0.20200  1.0 3.0
   33    38    44    45   0.15000  1.0 3.0
   33    38    44    46   0.15000  1.0 3.0
   33    38    44    50   0.56750  1.0 1.0
   33    38    44    50  -0.07550 -1.0 2.0
   33    38    44    50   0.20000  1.0 3.0
   33    41    47    48   0.15000  1.0 3.0
   33    41    47    49   0.15000  1.0 3.0
   33    41    47    53   0.34400  1.0 1.0
   33    41    47    53   0.09450 -1.0 2.0
   33    41    47    53   0.11100  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    44   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    47   0.15000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    47   0.56750  1.0 1.0
   38    33    41    47  -0.07550 -1.0 2.0
   38    33    41    47   0.20000  1.0 3.0
   38    44    50    51   0.15000  1.0 3.0
   38    44    50    52   0.15000  1.0 3.0
   38    44    50    55   0.56750  1.0 1.0
   38    44    50    55  -0.07550 -1.0 2.0
   38    44    50    55   0.20000  1.0 3.0
   39    38    44    45   0.15000  1.0 3.0
   39    38    44    46   0.15000  1.0 3.0
   39    38    44    50   0.15000  1.0 3.0
   40    38    44    45   0.15000  1.0 3.0
   40    38    44    46   0.15000  1.0 3.0
   40    38    44    50   0.15000  1.0 3.0
   44    50    55    56   0.15000  1.0 3.0
   44    50    55    57   0.15000  1.0 3.0
   44    50    55    60   0.56750  1.0 1.0
   44    50    55    60  -0.07550 -1.0 2.0
   44    50    55    60   0.20000  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    52   0.15000  1.0 3.0
   45    44    50    55   0.15000  1.0 3.0
   46    44    50    51   0.15000  1.0 3.0
   46    44    50    52   0.15000  1.0 3.0
   46    44    50    55   0.15000  1.0 3.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    63   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    50    55    60   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   57    55    60    61   0.15000  1.0 3.0
   57    55    60    62   0.15000  1.0 3.0
   57    55    60    63   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44   0.56750  1.0 1.0
   41    33    38    44  -0.07550 -1.0 2.0
   41    33    38    44   0.20000  1.0 3.0
   41    47    53    54   0.00000  1.0 1.0
   41    47    53    58   0.09850  1.0 1.0
   41    47    53    58   0.15250 -1.0 2.0
   41    47    53    58  -0.50650  1.0 3.0
   42    41    47    48   0.23400  1.0 3.0
   42    41    47    49   0.23400  1.0 3.0
   42    41    47    53   0.61850  1.0 1.0
   42    41    47    53  -0.22750 -1.0 2.0
   42    41    47    53   0.15300  1.0 3.0
   43    41    47    48   0.15000  1.0 3.0
   43    41    47    49   0.15000  1.0 3.0
   43    41    47    53   0.15000  1.0 3.0
   47    53    58    59   7.00000 -1.0 2.0
   47    53    58    64   7.00000 -1.0 2.0
   48    47    53    54   0.33100  1.0 3.0
   48    47    53    58   0.00000  1.0 1.0
   49    47    53    54   0.33100  1.0 3.0
   49    47    53    58   0.00000  1.0 1.0
   53    58    64    65   0.00000  1.0 1.0
   53    58    64    66   0.00000  1.0 1.0
   53    58    64    67  -0.28300  1.0 1.0
   53    58    64    67   0.26700 -1.0 2.0
   53    58    64    67  -0.63300  1.0 3.0
   54    53    58    59   7.00000 -1.0 2.0
   54    53    58    64   7.00000 -1.0 2.0
   58    64    67    68   0.00000  1.0 1.0
   58    64    67    69  -0.28300  1.0 1.0
   58    64    67    69   0.26700 -1.0 2.0
   58    64    67    69  -0.63300  1.0 3.0
   59    58    64    65   0.33100  1.0 3.0
   59    58    64    66   0.33100  1.0 3.0
   59    58    64    67   0.00000  1.0 1.0
   64    67    69    70   7.00000 -1.0 2.0
   64    67    69    71   7.00000 -1.0 2.0
   65    64    67    68   0.33100  1.0 3.0
   65    64    67    69   0.00000  1.0 1.0
   66    64    67    68   0.33100  1.0 3.0
   66    64    67    69   0.00000  1.0 1.0
   67    69    71    72   0.00000  1.0 1.0
   67    69    71    73   0.00000  1.0 1.0
   67    69    71    74  -0.28300  1.0 1.0
   67    69    71    74   0.26700 -1.0 2.0
   67    69    71    74  -0.63300  1.0 3.0
   68    67    69    70   7.00000 -1.0 2.0
   68    67    69    71   7.00000 -1.0 2.0
   69    71    74    75   0.00000  1.0 1.0
   69    71    74    76  -0.28300  1.0 1.0
   69    71    74    76   0.26700 -1.0 2.0
   69    71    74    76  -0.63300  1.0 3.0
   70    69    71    72   0.33100  1.0 3.0
   70    69    71    73   0.33100  1.0 3.0
   70    69    71    74   0.00000  1.0 1.0
   71    74    76    77   7.00000 -1.0 2.0
   71    74    76    78   7.00000 -1.0 2.0
   72    71    74    75   0.33100  1.0 3.0
   72    71    74    76   0.00000  1.0 1.0
   73    71    74    75   0.33100  1.0 3.0
   73    71    74    76   0.00000  1.0 1.0
   74    76    78    79   0.00000  1.0 1.0
   74    76    78    80   0.00000  1.0 1.0
   74    76    78    81   0.09850  1.0 1.0
   74    76    78    81   0.15250 -1.0 2.0
   74    76    78    81  -0.50650  1.0 3.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    78   7.00000 -1.0 2.0
   76    78    81    82   0.15000  1.0 3.0
   76    78    81    83   0.15000  1.0 3.0
   76    78    81    84   0.34400  1.0 1.0
   76    78    81    84   0.09450 -1.0 2.0
   76    78    81    84   0.11100  1.0 3.0
   77    76    78    79   0.33100  1.0 3.0
   77    76    78    80   0.33100  1.0 3.0
   77    76    78    81   0.00000  1.0 1.0
   78    81    84    85   0.15000  1.0 3.0
   78    81    84    86   0.15000  1.0 3.0
   78    81    84    87  -1.63150  1.0 1.0
   78    81    84    87  -0.43550 -1.0 2.0
   78    81    84    87   0.24500  1.0 3.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84   0.15000  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84   0.15000  1.0 3.0
   81    84    87    88   0.41150 -1.0 2.0
   81    84    87    89   0.41150 -1.0 2.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87  -0.11250  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87  -0.11250  1.0 3.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   86    84    87    88   0.00000  1.0 1.0
   86    84    87    89   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
   47    54    53    58  15.00000 -1.0 2.0
   64    59    58    53  15.00000 -1.0 2.0
   64    68    67    69  15.00000 -1.0 2.0
   71    70    69    67  15.00000 -1.0 2.0
   71    75    74    76  15.00000 -1.0 2.0
   78    77    76    74  15.00000 -1.0 2.0
   88    84    87    89  10.50000 -1.0 2.0
END
