* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    159    233     462
    1     0 S   NP   _N1_     1    28.99798    94.47727   -18.55446
    2     1 S   H    _HN1     2     1.02811    34.63060   144.80113
    3     1 S   H    _H1_     3     1.02773    76.91867   -61.38918
    4     1 S   H    _H2_     4     1.03031   103.61675    44.55109
    5     1 S   CT   _CA1     5     1.50344   138.96702  -170.52047
    6     5 S   HC   _HA1     6     1.09570   105.14325    34.54397
    7     5 S   CO3  _C1_     7     1.53758   112.52128   -85.16494
    8     7 S   O2Z  _O11     8     1.26323   115.03055   -32.61938
    9     7 S   O2Z  _O12     9     1.26234   115.17434   146.22539
   10     5 S   CT   _CB1    10     1.53009   107.04855   152.28728
   11    10 S   HC   HB11    11     1.09806   108.92881   -49.66727
   12    10 S   HC   HB12    12     1.09766   110.30624    66.59987
   13    10 S   CT   _CG1    13     1.53041   113.47203  -171.34220
   14    13 S   HC   HG11    14     1.09567   110.05529   -66.07986
   15    13 S   HC   HG12    15     1.09593   110.50154    53.32605
   16    13 S   C    _CD1    16     1.51889   111.50788   172.91258
   17    16 S   O    _OE1    17     1.22810   122.82673   -22.70392
   18    16 S   N    _N2_    18     1.38556   112.29258   158.46261
   19    18 S   H    _HN2    19     1.01563   119.34773     0.95981
   20    18 S   CT1  _CA2    20     1.46370   123.02236  -175.98351
   21    20 S   HC   _HA2    21     1.09740   109.24944   -14.84263
   22    20 S   C    _C2_    22     1.53369   108.70286  -130.63335
   23    22 S   O    _O2_    23     1.23020   122.25594  -148.04706
   24    20 S   CT   _CB2    32     1.53709   111.42310   106.88339
   25    24 S   HC   HB21    33     1.09470   108.95527    58.65751
   26    24 S   HC   HB22    34     1.09449   110.10196   177.36314
   27    22 S   N    _N3_    24     1.38526   113.38489    39.53605
   28    27 S   H    _HN3    25     1.01529   118.84919    -0.73115
   29    24 S   S    _SG2    35     1.83284   110.95095   -62.71423
   30    27 S   CT   _CA3    26     1.45430   123.42075   175.12275
   31    30 S   HC   HA31    27     1.09527   109.18254    25.45835
   32    30 S   HC   HA32    28     1.09495   107.13675   142.43746
   33    29 S   CT   _C17    36     1.87072   102.87003   168.98506
   34    33 S   OM   _O37    37     1.32067   112.54003   -47.56398
   35    30 S   CO3  _C3_    29     1.52918   113.15175   -97.99189
   36    35 S   O2Z  _O31    30     1.26401   115.42285   -44.76562
   37    35 S   O2Z  _O32    31     1.26360   114.98191   136.20628
   38    33 S   CM   _C12    38     1.57081   108.48305  -167.64996
   39    38 S   CT   _C13    39     1.56692   113.55720  -122.35855
   40    38 S   CMA  _C11    69     1.38087   125.93446    59.25223
   41    40 S   OM   _O42    70     1.26835   129.40929  -175.72703
   42    39 S   CT   _C14    40     1.53787   110.09957   -43.15871
   43    42 S   HC   _H12    41     1.09813   110.24276   -63.21282
   44    42 S   HC   _H13    42     1.09765   110.09196   179.69610
   45    39 S   CT   _C18    48     1.54653   113.99085    82.73419
   46    45 S   HC   _H16    49     1.09854   109.94094  -178.43827
   47    45 S   HC   _H17    50     1.09206   112.57824   -60.60670
   48    39 S   OH   _O41    67     1.44287   113.02926  -155.89583
   49    48 S   HO   _H24    68     0.97516   107.27731   -45.58273
   50    40 S   CT   _C10    71     1.53460   122.85348     2.84276
   51    50 S   HC   _H10    72     1.08892   115.28102    -5.33230
   52    50 S   HC   _H11    73     1.10047   109.39666  -123.20514
   53    42 S   CO4  _C15    43     1.50112   113.98858    57.75704
   54    53 S   O    _O36    44     1.23228   120.96352   158.46354
   55    45 S   CO4  _C19    51     1.52548   114.39612    63.23034
   56    55 S   O    _O38    52     1.23168   120.60868    69.13458
   57    50 S   CO4  _C9_    74     1.53551   113.72454   114.95628
   58    57 S   O    _O35    75     1.22988   122.31659   -41.35678
   59    33 S   CT   _C16    45     1.55009   104.29383    68.56121
   60    59 S   HC   _H14    46     1.09696   111.94621    42.44182
   61    59 S   HC   _H15    47     1.10051   111.89008   -76.62857
   62    55 S   CT   _C20    53     1.53131   116.22197  -113.41188
   63    62 S   HC   _H18    54     1.09911   107.74897   -66.39602
   64    62 S   HC   _H19    55     1.09534   107.62618    47.42286
   65    57 S   CT   _C8_    76     1.51537   114.83979   142.58464
   66    65 S   HC   _H8_    77     1.09542   106.34992    59.59887
   67    65 S   HC   _H9_    78     1.09474   108.17558   -57.81537
   68    62 S   CMA  _C21    56     1.52734   113.51358   168.60592
   69    68 S   OM   _O40    57     1.26245   111.59057    95.85483
   70    65 S   CO4  _C7_    79     1.51408   117.42014  -179.54286
   71    70 S   O    _O34    80     1.23033   123.24447    22.01207
   72    68 S   CM   _C22    58     1.35184   115.88033   -85.51934
   73    72 S   HC   _H20    59     1.08720   119.19188     0.84326
   74    70 S   CT   _C6_    81     1.51329   116.29836  -161.22872
   75    74 S   HC   _H6_    82     1.09477   108.47635    44.28884
   76    74 S   HC   _H7_    83     1.09543   108.45508   160.91904
   77    72 S   CO4  _C23    60     1.49056   124.41370  -179.80416
   78    77 S   O    _O39    61     1.22207   125.21473     1.52906
   79    74 S   CO4  _C5_    84     1.51045   114.28978   -78.11274
   80    79 S   O    _O33    85     1.23026   122.53942   -12.01559
   81    77 S   S    _S1_    62     1.76547   112.37209  -178.88092
   82    79 S   CT   _C4_    86     1.50608   116.33011   169.85503
   83    82 S   HC   _H3_    87     1.09268   109.52304    62.88512
   84    82 S   HC   _H4_    88     1.09353   109.71061  -177.47664
   85    82 S   HC   _H5_    89     1.09271   109.70188   -58.15672
   86    81 S   CT   _C24    63     1.80500   100.25884   171.01294
   87    86 S   HC   _H21    64     1.09328   109.23464  -178.58695
   88    86 S   HC   _H22    65     1.09334   110.54396    62.15308
   89    86 S   HC   _H23    66     1.09335   110.54578   -59.22225
  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
  14   7   2   1   1  20  17  11   4  13   6   5  11   5   4   3
   1   8   4   3   4   3   7   4   7   4   2   1   1   7   4   3
   8   4   3   6   3   7   4   5   3   8   4   3   6   2   5   4
   4   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    59    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    53    59    60    61    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    53    54    59    60    61    45    48    40    41    50  
   38    39    53    59    60    61    40  
   36    37  
   37  
    0  
   39    42    43    44    53    59    60    61    45    46    47    55    48    49    40    41    50    51    52    57  
   42    43    44    53    54    59    45    46    47    55    56    62    48    49    40    41    50  
   41    50    51    52    57    58    65    42    45    48    59  
   50    51    52    57  
   43    44    53    54    59    60    61    45    46    47    55    48    49  
   44    53    54    59    45    48  
   53    54    59    45    48  
   46    47    55    56    62    63    64    68    48    49    53  
   47    55    56    62    48  
   55    56    62    48  
   49    53    55  
    0  
   51    52    57    58    65    66    67    70  
   52    57    58    65  
   57    58    65  
   54    59    60    61  
   59    60    61  
   56    62    63    64    68    69    72  
   62    63    64    68  
   58    65    66    67    70    71    74  
   65    66    67    70  
   60    61  
   61  
    0  
   63    64    68    69    72    73    77  
   64    68    69    72  
   68    69    72  
   66    67    70    71    74    75    76    79  
   67    70    71    74  
   70    71    74  
   69    72    73    77    78    81  
   72    73    77  
   71    74    75    76    79    80    82  
   74    75    76    79  
   73    77    78    81    86  
   77    78    81  
   75    76    79    80    82    83    84    85  
   76    79    80    82  
   79    80    82  
   78    81    86    87    88    89  
   81    86  
   80    82    83    84    85  
   82    83    84    85  
   86    87    88    89  
   83    84    85  
   84    85  
   85  
    0  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.4200   0.0150   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.4200   0.0150   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0150   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    59   268.000  1.529
   38    39   317.000  1.510
   38    40   465.000  1.376
   39    42   268.000  1.529
   39    45   268.000  1.529
   39    48   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    53   317.000  1.522
   53    54   570.000  1.229
   53    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    55   317.000  1.522
   55    56   570.000  1.229
   55    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   270.000  1.512
   68    69   745.000  1.250
   68    72   465.000  1.376
   72    73   340.000  1.080
   72    77   320.000  1.462
   77    78   570.000  1.229
   77    81   210.000  1.799
   81    86   222.000  1.810
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   48    49   553.000  0.945
   40    41   745.000  1.250
   40    50   270.000  1.512
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   317.000  1.522
   57    58   570.000  1.229
   57    65   317.000  1.522
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   317.000  1.522
   70    71   570.000  1.229
   70    74   317.000  1.522
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   317.000  1.522
   79    80   570.000  1.229
   79    82   317.000  1.522
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    59    75.00000  111.63000
   33    38    39    65.00000  117.92700
   33    38    40    70.00000  124.00000
   33    59    53    63.00000  111.10000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   38    33    34    85.00000  110.90400
   38    39    42    70.00000  112.02700
   38    39    45    70.00000  112.02700
   38    39    48    90.00000  110.39200
   38    40    41    65.00000  137.10300
   38    40    50    65.00000  122.18000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    53    63.00000  111.10000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    55    63.00000  111.10000
   39    48    49    55.00000  108.50000
   42    53    54    80.00000  120.40000
   42    53    59    70.00000  116.00000
   44    42    43    33.00000  107.80000
   53    42    43    35.00000  109.50000
   53    42    44    35.00000  109.50000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   59    33    34    50.00000  109.50000
   59    33    38    70.00000  112.02700
   59    53    54    80.00000  120.40000
   61    59    60    33.00000  107.80000
   45    39    42    58.35000  112.70000
   45    55    56    80.00000  120.40000
   45    55    62    70.00000  116.00000
   47    45    46    33.00000  107.80000
   55    45    46    35.00000  109.50000
   55    45    47    35.00000  109.50000
   55    62    63    35.00000  109.50000
   55    62    64    35.00000  109.50000
   55    62    68    70.00000  109.06800
   62    55    56    80.00000  120.40000
   62    68    69    85.00000  112.85300
   62    68    72    65.00000  122.18000
   64    62    63    33.00000  107.80000
   68    62    63    45.00000  110.52000
   68    62    64    45.00000  110.52000
   68    72    73    40.00000  120.50800
   68    72    77    60.00000  125.92000
   72    68    69    65.00000  137.10300
   72    77    78    80.00000  123.72100
   72    77    81    65.00000  119.00000
   77    72    73    40.00000  117.72500
   77    81    86    90.00000   96.72000
   81    77    78    80.00000  121.30200
   81    86    87    35.00000  109.50000
   81    86    88    35.00000  109.50000
   81    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   48    39    42    50.00000  109.50000
   48    39    45    50.00000  109.50000
   40    38    39    70.00000  124.00000
   40    50    51    45.00000  110.52000
   40    50    52    45.00000  110.52000
   40    50    57    70.00000  109.06800
   50    40    41    85.00000  112.85300
   50    57    58    80.00000  120.40000
   50    57    65    70.00000  116.00000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    65    66    35.00000  109.50000
   57    65    67    35.00000  109.50000
   57    65    70    75.00000  107.99600
   65    57    58    80.00000  120.40000
   65    70    71    80.00000  120.40000
   65    70    74    70.00000  116.00000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
   70    74    75    35.00000  109.50000
   70    74    76    35.00000  109.50000
   70    74    79    75.00000  107.99600
   74    70    71    80.00000  120.40000
   74    79    80    80.00000  120.40000
   74    79    82    70.00000  116.00000
   76    74    75    33.00000  107.80000
   79    74    75    35.00000  109.50000
   79    74    76    35.00000  109.50000
   79    82    83    35.00000  109.50000
   79    82    84    35.00000  109.50000
   79    82    85    35.00000  109.50000
   82    79    80    80.00000  120.40000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    59    53   0.56750  1.0 1.0
   29    33    59    53  -0.07550 -1.0 2.0
   29    33    59    53   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   33    38    39    42   0.46850  1.0 1.0
   33    38    39    42   0.08550 -1.0 2.0
   33    38    39    42   0.09800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    39    48   0.18000  1.0 1.0
   33    38    39    48   0.16450 -1.0 2.0
   33    38    39    48   0.04450  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    50   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    59    53  -0.09450  1.0 1.0
   34    33    59    53  -1.12950 -1.0 2.0
   34    33    59    53   0.54000  1.0 3.0
   34    33    59    60   0.23400  1.0 3.0
   34    33    59    61   0.23400  1.0 3.0
   38    33    59    53  -0.98800  1.0 1.0
   38    33    59    53   0.48800 -1.0 2.0
   38    33    59    53   0.76800  1.0 3.0
   38    33    59    60   0.15000  1.0 3.0
   38    33    59    61   0.15000  1.0 3.0
   38    39    42    43   0.15000  1.0 3.0
   38    39    42    44   0.15000  1.0 3.0
   38    39   -42    53  -0.98800  1.0 1.0
   38    39   -42    53   0.48800 -1.0 2.0
   38    39   -42    53   0.76800  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39    45    47   0.15000  1.0 3.0
   38    39    45    55  -0.98800  1.0 1.0
   38    39    45    55   0.48800 -1.0 2.0
   38    39    45    55   0.76800  1.0 3.0
   38    39    48    49  -0.07800  1.0 1.0
   38    39    48    49  -0.21500 -1.0 2.0
   38    39    48    49  -0.03150  1.0 3.0
   38    40    50    51   0.00000  1.0 1.0
   38    40    50    52   0.00000  1.0 1.0
   38    40    50    57  -0.51250  1.0 1.0
   38    40    50    57  -0.88800 -1.0 2.0
   38    40    50    57   0.08850  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    50   7.00000 -1.0 2.0
   39    42    53    54   0.30150 -1.0 2.0
   39    42    53    59   0.60050  1.0 1.0
   39    42    53    59   0.05600 -1.0 2.0
   39    42    53    59   0.26150  1.0 3.0
   39    45    55    56   0.30150 -1.0 2.0
   39    45    55    62   0.60050  1.0 1.0
   39    45    55    62   0.05600 -1.0 2.0
   39    45    55    62   0.26150  1.0 3.0
   42    39    45    46   0.15000  1.0 3.0
   42    39    45    47   0.15000  1.0 3.0
   42    39    45    55  -0.95700  1.0 1.0
   42    39    45    55  -0.18200 -1.0 2.0
   42    39    45    55   0.29450  1.0 3.0
   42    39    48    49  -0.11600  1.0 1.0
   42    39    48    49  -0.09450 -1.0 2.0
   42    39    48    49   0.21250  1.0 3.0
   42    53   -59    33   0.60050  1.0 1.0
   42    53   -59    33   0.05600 -1.0 2.0
   42    53   -59    33   0.26150  1.0 3.0
   42    53    59    60   0.00000  1.0 1.0
   42    53    59    61   0.00000  1.0 1.0
   43    42    53    54   0.00000  1.0 1.0
   43    42    53    59   0.00000  1.0 1.0
   44    42    53    54   0.00000  1.0 1.0
   44    42    53    59   0.00000  1.0 1.0
   54    53    59    33   0.30150 -1.0 2.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.00000  1.0 1.0
   59    33   -38    39   0.46850  1.0 1.0
   59    33   -38    39   0.08550 -1.0 2.0
   59    33   -38    39   0.09800  1.0 3.0
   59    33    38    40   0.09850  1.0 1.0
   59    33    38    40   0.15250 -1.0 2.0
   59    33    38    40  -0.50650  1.0 3.0
   45    39    42    43   0.15000  1.0 3.0
   45    39    42    44   0.15000  1.0 3.0
   45    39    42    53  -0.95700  1.0 1.0
   45    39    42    53  -0.18200 -1.0 2.0
   45    39    42    53   0.29450  1.0 3.0
   45    39    48    49  -0.11600  1.0 1.0
   45    39    48    49  -0.09450 -1.0 2.0
   45    39    48    49   0.21250  1.0 3.0
   45    55    62    63   0.00000  1.0 1.0
   45    55    62    64   0.00000  1.0 1.0
   45    55    62    68   0.65300  1.0 1.0
   45    55    62    68  -0.03850 -1.0 2.0
   45    55    62    68   0.33900  1.0 3.0
   46    45    55    56   0.00000  1.0 1.0
   46    45    55    62   0.00000  1.0 1.0
   47    45    55    56   0.00000  1.0 1.0
   47    45    55    62   0.00000  1.0 1.0
   55    62    68    69   0.09700  1.0 1.0
   55    62    68    69   0.15600 -1.0 2.0
   55    62    68    69  -0.50800  1.0 3.0
   55    62    68    72  -0.51250  1.0 1.0
   55    62    68    72  -0.88800 -1.0 2.0
   55    62    68    72   0.08850  1.0 3.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    64   0.00000  1.0 1.0
   56    55    62    68   0.30150 -1.0 2.0
   62    68    72    73   7.00000 -1.0 2.0
   62    68    72    77   7.00000 -1.0 2.0
   63    62    68    69   0.00000  1.0 1.0
   63    62    68    72   0.00000  1.0 1.0
   64    62    68    69   0.00000  1.0 1.0
   64    62    68    72   0.00000  1.0 1.0
   68    72    77    78   1.00000 -1.0 2.0
   68    72    77    81   0.50400  1.0 1.0
   68    72    77    81   1.60000 -1.0 2.0
   68    72    77    81  -0.01800  1.0 3.0
   69    68    72    73   7.00000 -1.0 2.0
   69    68    72    77   7.00000 -1.0 2.0
   72    77    81    86  -0.11550  1.0 1.0
   72    77    81    86   1.88700 -1.0 2.0
   73    72    77    78   0.00000  1.0 1.0
   73    72    77    81   0.92800 -1.0 2.0
   77    81    86    87   0.24000  1.0 3.0
   77    81    86    88   0.24000  1.0 3.0
   77    81    86    89   0.24000  1.0 3.0
   78    77    81    86  -0.11550  1.0 1.0
   78    77    81    86   1.88700 -1.0 2.0
   48    39    42    43   0.23400  1.0 3.0
   48    39    42    44   0.23400  1.0 3.0
   48    39    42    53  -0.09450  1.0 1.0
   48    39    42    53  -1.12950 -1.0 2.0
   48    39    42    53   0.54000  1.0 3.0
   48    39    45    46   0.23400  1.0 3.0
   48    39    45    47   0.23400  1.0 3.0
   48    39    45    55  -0.09450  1.0 1.0
   48    39    45    55  -1.12950 -1.0 2.0
   48    39    45    55   0.54000  1.0 3.0
   40    38    39    42   0.09850  1.0 1.0
   40    38    39    42   0.15250 -1.0 2.0
   40    38    39    42  -0.50650  1.0 3.0
   40    38    39    45   0.09850  1.0 1.0
   40    38    39    45   0.15250 -1.0 2.0
   40    38    39    45  -0.50650  1.0 3.0
   40    38    39    48   0.67800  1.0 1.0
   40    38    39    48   0.47050 -1.0 2.0
   40    38    39    48  -0.62500  1.0 3.0
   40    50    57    58   0.30150 -1.0 2.0
   40    50    57    65   0.65300  1.0 1.0
   40    50    57    65  -0.03850 -1.0 2.0
   40    50    57    65   0.33900  1.0 3.0
   41    40    50    51   0.00000  1.0 1.0
   41    40    50    52   0.00000  1.0 1.0
   41    40    50    57   0.09700  1.0 1.0
   41    40    50    57   0.15600 -1.0 2.0
   41    40    50    57  -0.50800  1.0 3.0
   50    57    65    66   0.00000  1.0 1.0
   50    57    65    67   0.00000  1.0 1.0
   50    57    65    70   0.65300  1.0 1.0
   50    57    65    70  -0.03850 -1.0 2.0
   50    57    65    70   0.33900  1.0 3.0
   51    50    57    58   0.00000  1.0 1.0
   51    50    57    65   0.00000  1.0 1.0
   52    50    57    58   0.00000  1.0 1.0
   52    50    57    65   0.00000  1.0 1.0
   57    65    70    71   0.30150 -1.0 2.0
   57    65    70    74   0.65300  1.0 1.0
   57    65    70    74  -0.03850 -1.0 2.0
   57    65    70    74   0.33900  1.0 3.0
   58    57    65    66   0.00000  1.0 1.0
   58    57    65    67   0.00000  1.0 1.0
   58    57    65    70   0.30150 -1.0 2.0
   65    70    74    75   0.00000  1.0 1.0
   65    70    74    76   0.00000  1.0 1.0
   65    70    74    79   0.65300  1.0 1.0
   65    70    74    79  -0.03850 -1.0 2.0
   65    70    74    79   0.33900  1.0 3.0
   66    65    70    71   0.00000  1.0 1.0
   66    65    70    74   0.00000  1.0 1.0
   67    65    70    71   0.00000  1.0 1.0
   67    65    70    74   0.00000  1.0 1.0
   70    74    79    80   0.30150 -1.0 2.0
   70    74    79    82   0.65300  1.0 1.0
   70    74    79    82  -0.03850 -1.0 2.0
   70    74    79    82   0.33900  1.0 3.0
   71    70    74    75   0.00000  1.0 1.0
   71    70    74    76   0.00000  1.0 1.0
   71    70    74    79   0.30150 -1.0 2.0
   74    79    82    83   0.00000  1.0 1.0
   74    79    82    84   0.00000  1.0 1.0
   74    79    82    85   0.00000  1.0 1.0
   75    74    79    80   0.00000  1.0 1.0
   75    74    79    82   0.00000  1.0 1.0
   76    74    79    80   0.00000  1.0 1.0
   76    74    79    82   0.00000  1.0 1.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   80    79    82    85   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    40   1.10000 -1.0 2.0
   42    59    53    54  10.50000 -1.0 2.0
   45    62    55    56  10.50000 -1.0 2.0
   62    69    68    72  15.00000 -1.0 2.0
   77    73    72    68  15.00000 -1.0 2.0
   72    81    77    78  10.50000 -1.0 2.0
   50    41    40    38   1.10000 -1.0 2.0
   50    65    57    58  10.50000 -1.0 2.0
   65    74    70    71  10.50000 -1.0 2.0
   74    82    79    80  10.50000 -1.0 2.0
END
