* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    155    242     460
    1     0 S   NP   _N1_     1    33.88940   101.77309   -23.34154
    2     1 S   H    _HN1     2     1.02878    61.57932   -92.92015
    3     1 S   H    _H1_     3     1.02769    97.11460   161.25758
    4     1 S   H    _H2_     4     1.03476   155.27585   -22.88599
    5     1 S   CT   _CA1     5     1.50137    58.37036    50.73796
    6     5 S   HC   _HA1     6     1.09505   104.98046   142.39814
    7     5 S   CO3  _C1_     7     1.53619   113.45136    21.95779
    8     7 S   O2Z  _O11     8     1.26374   115.12704   -32.21748
    9     7 S   O2Z  _O12     9     1.26267   114.96251   147.21120
   10     5 S   CT   _CB1    10     1.52942   107.41926   -99.23731
   11    10 S   HC   HB11    11     1.09515   109.29238   -41.41645
   12    10 S   HC   HB12    12     1.09834   110.53253    74.24408
   13    10 S   CT   _CG1    13     1.53237   113.21592  -163.57291
   14    13 S   HC   HG11    14     1.09524   111.06643   -88.85110
   15    13 S   HC   HG12    15     1.09622   111.38033    30.69524
   16    13 S   C    _CD1    16     1.51540   109.08029   150.93613
   17    16 S   O    _OE1    17     1.22769   122.06392    90.43440
   18    16 S   N    _N2_    18     1.38560   112.31818   -85.91102
   19    18 S   H    _HN2    19     1.01552   118.93930    -5.45481
   20    18 S   CT1  _CA2    20     1.45962   123.00262   169.94611
   21    20 S   HC   _HA2    21     1.09704   108.89026    28.98741
   22    20 S   C    _C2_    22     1.53341   109.44923   -87.38995
   23    22 S   O    _O2_    23     1.23158   120.87478   154.82628
   24    20 S   CT   _CB2    32     1.53081   111.53242   152.77232
   25    24 S   HC   HB21    33     1.09377   109.91229    46.25324
   26    24 S   HC   HB22    34     1.09482   110.06108   165.53952
   27    22 S   N    _N3_    24     1.38276   114.80260   -32.75881
   28    27 S   H    _HN3    25     1.01464   119.56979     3.75087
   29    24 S   S    _SG2    35     1.82273   111.45032   -74.09040
   30    27 S   CT   _CA3    26     1.45368   123.09363  -176.50318
   31    30 S   HC   HA31    27     1.09550   108.52586   -39.71685
   32    30 S   HC   HA32    28     1.09557   107.02113    76.81974
   33    29 S   CT   _C7_    36     1.84800    99.83960   172.49674
   34    33 S   HC   _H3_    37     1.09269   106.20864   -56.07614
   35    30 S   CO3  _C3_    29     1.52939   114.44118  -162.21655
   36    35 S   O2Z  _O31    30     1.26385   116.28187    -0.96793
   37    35 S   O2Z  _O32    31     1.26380   114.44301   179.15350
   38    33 S   CM   _C6_    38     1.51307   109.83573    63.30401
   39    38 S   HC   _H9_    39     1.09046   115.28105    44.58566
   40    33 S   CM   _C8_    78     1.50120   107.77177  -173.76414
   41    38 S   CM   _C5_    40     1.34615   127.61158  -133.98452
   42    40 S   CMA  _C9_    79     1.52372   124.38802    95.52848
   43    42 S   OM   _O33    80     1.26414   120.00428   177.72979
   44    42 S   OM   _O34    81     1.26265   121.82299    -2.63017
   45    40 S   OH   _O35    82     1.38470   117.83201   -81.83987
   46    45 S   HO   _H10    83     0.97595   104.83375   179.20328
   47    41 S   CO4  _C10    41     1.49158   120.29469    -5.58648
   48    47 S   O    _O36    42     1.22972   120.42316   -61.68024
   49    41 S   CT   _C4_    74     1.49627   123.22814   178.14407
   50    49 S   HC   _H6_    75     1.09500   110.55571   129.18821
   51    49 S   HC   _H7_    76     1.09519   111.88727     9.49194
   52    49 S   HC   _H8_    77     1.09442   110.59740  -110.55840
   53    47 S   CT   _C11    43     1.51634   118.18659   118.29686
   54    53 S   HC   _H11    44     1.09665   107.14161   160.19522
   55    53 S   HC   _H12    45     1.09355   109.91248    44.81828
   56    53 S   CT   _C12    46     1.52832   110.31129   -79.08544
   57    56 S   HC   _H13    47     1.09658   109.02591    78.18703
   58    56 S   HC   _H14    48     1.09507   107.90118   -37.47213
   59    56 S   CT   _C13    49     1.53665   113.69084  -158.51913
   60    59 S   HC   _H4_    50     1.09501   108.62958    45.30367
   61    59 S   CO4  _C21    51     1.53918   112.45701   -74.06038
   62    61 S   O    _O38    52     1.23142   122.43904    13.68051
   63    61 S   CT   _C20    53     1.52647   117.37848  -171.01246
   64    63 S   HC   _H21    54     1.09582   108.49814   166.08471
   65    63 S   HC   _H22    55     1.09509   107.59065   -78.05568
   66    63 S   CT   _C19    56     1.53260   113.31473    44.86636
   67    66 S   HC   _H19    57     1.09697   109.08088    73.62455
   68    66 S   HC   _H20    58     1.09663   109.81161  -170.75246
   69    66 S   CT   _C18    59     1.52656   111.19177   -47.65367
   70    69 S   CO4  _C17    60     1.51922   116.24047   167.33108
   71    70 S   O    _O37    61     1.22406   124.76329    42.67355
   72    69 S   CT   _C22    70     1.53873   111.41285   -70.25128
   73    72 S   HC   _H23    71     1.09318   112.84713    59.96781
   74    72 S   HC   _H24    72     1.09684   110.20341   -59.84969
   75    72 S   HC   _H25    73     1.09526   112.32579  -178.30546
   76    70 S   CT   _C16    62     1.51702   111.48197  -139.13559
   77    76 S   HC   _H17    63     1.09264   108.98106   116.72803
   78    76 S   HC   _H18    64     1.09196   111.12857  -120.81253
   79    76 S   CT   _C15    65     1.53301   103.06692    -1.07593
   80    79 S   HC   _H15    66     1.09431   110.48679   147.80007
   81    79 S   HC   _H16    67     1.09538   111.07218   -92.63093
   82    59 S   CT   _C14    68     1.53311   111.38337   167.52407
   83    82 S   HC   _H5_    69     1.10365   106.73273    64.40747
  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   8   5   4   3
  12   6   2   1   1  12   4   6  10   4   2   1   1   1  12   5
   4   2   1   1   9   5   4  11   5   4  16   7  11   5   9   5
   4  13   5   4  14  13   6   7   3   2   1   7   5   4   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    41    40    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    47    49    40    42    43    44    45    46  
   38    39    41    40    42    45  
   36    37  
   37  
    0  
   39    41    47    48    53    49    50    51    52    40    42    45  
   41    47    49    40  
   42    43    44    45    46    41  
   47    48    53    54    55    56    49    50    51    52  
   43    44    45    46  
   44    45  
   45  
   46  
    0  
   48    53    54    55    56    57    58    59    49    50    51    52  
   53    54    55    56    49  
   50    51    52    53  
   51    52  
   52  
    0  
   54    55    56    57    58    59    60    61    82  
   55    56    57    58    59  
   56    57    58    59  
   57    58    59    60    61    62    63    69    79    82    83  
   58    59    60    61    82  
   59    60    61    82  
   60    61    62    63    64    65    66    69    70    76    79    80    81    82    83    72  
   61    62    63    69    79    82    83  
   62    63    64    65    66    67    68    69    79    82    83  
   63    64    65    66    82  
   64    65    66    67    68    69    70    82    72  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    76    79    82    83    72    73    74    75  
   68    69    70    82    72  
   69    70    82    72  
   70    71    76    77    78    79    80    81    82    83    72    73    74    75  
   71    76    77    78    79    80    81    82    83    72    73    74    75  
   76    77    78    79    82    72  
   73    74    75    76    79    82    83  
   74    75    82  
   75    82  
   82  
   77    78    79    80    81    82    83  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    41   549.000  1.340
   41    47   320.000  1.462
   41    49   317.000  1.510
   47    48   570.000  1.229
   47    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   317.000  1.522
   59    82   268.000  1.529
   61    62   570.000  1.229
   61    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   317.000  1.522
   69    82   268.000  1.529
   69    72   268.000  1.529
   70    71   570.000  1.229
   70    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   40    42   465.000  1.376
   40    45   510.000  1.338
   42    43   745.000  1.250
   42    44   745.000  1.250
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    42    70.00000  124.00000
   33    40    45    90.00000  109.34000
   38    33    34    35.00000  109.50000
   38    41    47    65.00000  118.96000
   38    41    49    70.00000  124.00000
   41    38    39    35.00000  120.00000
   41    47    48    80.00000  123.72100
   41    47    53    65.00000  118.62400
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    52    35.00000  109.50000
   47    53    54    35.00000  109.50000
   47    53    55    35.00000  109.50000
   47    53    56    63.00000  111.10000
   53    47    48    80.00000  120.40000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    63.00000  111.10000
   56    59    82    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    62    80.00000  120.40000
   59    61    63    70.00000  116.00000
   59    82    69    58.35000  112.70000
   59    82    79    58.35000  112.70000
   59    82    83    37.50000  110.70000
   61    59    60    35.00000  109.50000
   61    63    64    35.00000  109.50000
   61    63    65    35.00000  109.50000
   61    63    66    63.00000  111.10000
   63    61    62    80.00000  120.40000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    63.00000  111.10000
   66    69    82    58.35000  112.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    70    71    80.00000  120.40000
   69    70    76    70.00000  116.00000
   69    82    79    58.35000  112.70000
   69    82    83    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    37.50000  110.70000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    63.00000  111.10000
   76    70    71    80.00000  120.40000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    59    60    37.50000  110.70000
   82    59    61    63.00000  111.10000
   82    69    70    63.00000  111.10000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   72    69    70    63.00000  111.10000
   72    69    82    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   49    41    47    65.00000  116.34900
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    42    43    65.00000  137.10300
   40    42    44    65.00000  137.10300
   40    45    46    70.00000  107.45700
   44    42    43    65.00000  121.00000
   45    40    42    80.00000  121.38400
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  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    42   0.42700  1.0 1.0
   29    33    40    42  -0.70350 -1.0 2.0
   29    33    40    42  -0.43150  1.0 3.0
   29    33    40    45   0.09700  1.0 1.0
   29    33    40    45   0.15600 -1.0 2.0
   29    33    40    45  -0.50800  1.0 3.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    41    49   7.00000 -1.0 2.0
   33    40    42    43   7.00000 -1.0 2.0
   33    40    42    44   7.00000 -1.0 2.0
   33    40    45    46   2.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    42   0.00000  1.0 1.0
   34    33    40    45   0.00000  1.0 1.0
   38    33    40    42  -0.28300  1.0 1.0
   38    33    40    42   0.26700 -1.0 2.0
   38    33    40    42  -0.63300  1.0 3.0
   38    33    40    45   0.09700  1.0 1.0
   38    33    40    45   0.15600 -1.0 2.0
   38    33    40    45  -0.50800  1.0 3.0
   38    41    47    48   1.00000 -1.0 2.0
   38    41    47    53  -0.33500  1.0 1.0
   38    41    47    53   1.06600 -1.0 2.0
   38    41    47    53  -0.14000  1.0 3.0
   38    41    49    50   0.00000  1.0 1.0
   38    41    49    51   0.00000  1.0 1.0
   38    41    49    52   0.00000  1.0 1.0
   39    38    41    47   7.00000 -1.0 2.0
   39    38    41    49   7.00000 -1.0 2.0
   41    47    53    54   0.00000  1.0 1.0
   41    47    53    55   0.00000  1.0 1.0
   41    47    53    56   0.65300  1.0 1.0
   41    47    53    56  -0.03850 -1.0 2.0
   41    47    53    56   0.33900  1.0 3.0
   47    41    49    50   0.15000  1.0 3.0
   47    41    49    51   0.15000  1.0 3.0
   47    41    49    52   0.15000  1.0 3.0
   47    53    56    57  -0.11250  1.0 3.0
   47    53    56    58  -0.11250  1.0 3.0
   47    53    56    59  -0.95700  1.0 1.0
   47    53    56    59  -0.18200 -1.0 2.0
   47    53    56    59   0.29450  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    55   0.00000  1.0 1.0
   48    47    53    56   0.30150 -1.0 2.0
   53    56    59    60   0.15000  1.0 3.0
   53    56    59    61  -0.95700  1.0 1.0
   53    56    59    61  -0.18200 -1.0 2.0
   53    56    59    61   0.29450  1.0 3.0
   53    56    59    82   0.56750  1.0 1.0
   53    56    59    82  -0.07550 -1.0 2.0
   53    56    59    82   0.20000  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.15000  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.15000  1.0 3.0
   56    59    61    62   0.30150 -1.0 2.0
   56    59    61    63   0.60050  1.0 1.0
   56    59    61    63   0.05600 -1.0 2.0
   56    59    61    63   0.26150  1.0 3.0
   56    59    82    69   0.56750  1.0 1.0
   56    59    82    69  -0.07550 -1.0 2.0
   56    59    82    69   0.20000  1.0 3.0
   56    59    82    79   0.56750  1.0 1.0
   56    59    82    79  -0.07550 -1.0 2.0
   56    59    82    79   0.20000  1.0 3.0
   56    59    82    83   0.15000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61  -0.11250  1.0 3.0
   57    56    59    82   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61  -0.11250  1.0 3.0
   58    56    59    82   0.15000  1.0 3.0
   59    61    63    64   0.00000  1.0 1.0
   59    61    63    65   0.00000  1.0 1.0
   59    61    63    66   0.60050  1.0 1.0
   59    61    63    66   0.05600 -1.0 2.0
   59    61    63    66   0.26150  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    82    69   0.15000  1.0 3.0
   60    59    82    79   0.15000  1.0 3.0
   60    59    82    83   0.15000  1.0 3.0
   61    59    82    69  -0.95700  1.0 1.0
   61    59    82    69  -0.18200 -1.0 2.0
   61    59    82    69   0.29450  1.0 3.0
   61    59    82    79  -0.95700  1.0 1.0
   61    59    82    79  -0.18200 -1.0 2.0
   61    59    82    79   0.29450  1.0 3.0
   61    59    82    83  -0.11250  1.0 3.0
   61    63    66    67  -0.11250  1.0 3.0
   61    63    66    68  -0.11250  1.0 3.0
   61    63   -66    69  -0.95700  1.0 1.0
   61    63   -66    69  -0.18200 -1.0 2.0
   61    63   -66    69   0.29450  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    66   0.30150 -1.0 2.0
   63    66    69    70  -0.95700  1.0 1.0
   63    66    69    70  -0.18200 -1.0 2.0
   63    66    69    70   0.29450  1.0 3.0
   63    66    69    82   0.56750  1.0 1.0
   63    66    69    82  -0.07550 -1.0 2.0
   63    66    69    82   0.20000  1.0 3.0
   63    66    69    72   0.56750  1.0 1.0
   63    66    69    72  -0.07550 -1.0 2.0
   63    66    69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    70    71   0.30150 -1.0 2.0
   66    69    70    76   0.60050  1.0 1.0
   66    69    70    76   0.05600 -1.0 2.0
   66    69    70    76   0.26150  1.0 3.0
   66    69   -82    59   0.56750  1.0 1.0
   66    69   -82    59  -0.07550 -1.0 2.0
   66    69   -82    59   0.20000  1.0 3.0
   66    69    82    79   0.56750  1.0 1.0
   66    69    82    79  -0.07550 -1.0 2.0
   66    69    82    79   0.20000  1.0 3.0
   66    69    82    83   0.15000  1.0 3.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75   0.15000  1.0 3.0
   67    66    69    70  -0.11250  1.0 3.0
   67    66    69    82   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70  -0.11250  1.0 3.0
   68    66    69    82   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    70    76    77   0.00000  1.0 1.0
   69    70    76    78   0.00000  1.0 1.0
   69    70   -76    79   0.60050  1.0 1.0
   69    70   -76    79   0.05600 -1.0 2.0
   69    70   -76    79   0.26150  1.0 3.0
   70    69    82    59  -0.95700  1.0 1.0
   70    69    82    59  -0.18200 -1.0 2.0
   70    69    82    59   0.29450  1.0 3.0
   70    69   -82    79  -0.95700  1.0 1.0
   70    69   -82    79  -0.18200 -1.0 2.0
   70    69   -82    79   0.29450  1.0 3.0
   70    69    82    83  -0.11250  1.0 3.0
   70    69    72    73  -0.11250  1.0 3.0
   70    69    72    74  -0.11250  1.0 3.0
   70    69    72    75  -0.11250  1.0 3.0
   70    76    79    80  -0.11250  1.0 3.0
   70    76    79    81  -0.11250  1.0 3.0
   70    76   -79    82  -0.95700  1.0 1.0
   70    76   -79    82  -0.18200 -1.0 2.0
   70    76   -79    82   0.29450  1.0 3.0
   71    70    76    77   0.00000  1.0 1.0
   71    70    76    78   0.00000  1.0 1.0
   71    70    76    79   0.30150 -1.0 2.0
   76    79    82    59   0.56750  1.0 1.0
   76    79    82    59  -0.07550 -1.0 2.0
   76    79    82    59   0.20000  1.0 3.0
   76    79   -82    69   0.56750  1.0 1.0
   76    79   -82    69  -0.07550 -1.0 2.0
   76    79   -82    69   0.20000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   80    79    82    59   0.15000  1.0 3.0
   80    79    82    69   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   81    79    82    59   0.15000  1.0 3.0
   81    79    82    69   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   82    59    61    62   0.30150 -1.0 2.0
   82    59   -61    63   0.60050  1.0 1.0
   82    59   -61    63   0.05600 -1.0 2.0
   82    59   -61    63   0.26150  1.0 3.0
   82    69    70    71   0.30150 -1.0 2.0
   82    69   -70    76   0.60050  1.0 1.0
   82    69   -70    76   0.05600 -1.0 2.0
   82    69   -70    76   0.26150  1.0 3.0
   82    69    72    73   0.15000  1.0 3.0
   82    69    72    74   0.15000  1.0 3.0
   82    69    72    75   0.15000  1.0 3.0
   72    69    70    71   0.30150 -1.0 2.0
   72    69    70    76   0.60050  1.0 1.0
   72    69    70    76   0.05600 -1.0 2.0
   72    69    70    76   0.26150  1.0 3.0
   72    69    82    59   0.56750  1.0 1.0
   72    69    82    59  -0.07550 -1.0 2.0
   72    69    82    59   0.20000  1.0 3.0
   72    69    82    79   0.56750  1.0 1.0
   72    69    82    79  -0.07550 -1.0 2.0
   72    69    82    79   0.20000  1.0 3.0
   72    69    82    83   0.15000  1.0 3.0
   49    41    47    48  -0.64400  1.0 1.0
   49    41    47    48   0.26850 -1.0 2.0
   49    41    47    53   0.25700  1.0 1.0
   49    41    47    53   0.66200 -1.0 2.0
   49    41    47    53   0.04450  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   42    40    45    46  -0.66100  1.0 1.0
   42    40    45    46   1.20850 -1.0 2.0
   42    40    45    46  -0.36000  1.0 3.0
   45    40    42    43   7.00000 -1.0 2.0
   45    40    42    44   7.00000 -1.0 2.0
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    41  15.00000 -1.0 2.0
   47    49    41    38  15.00000 -1.0 2.0
   41    53    47    48  10.50000 -1.0 2.0
   59    63    61    62  10.50000 -1.0 2.0
   69    76    70    71  10.50000 -1.0 2.0
   33    45    40    42  15.00000 -1.0 2.0
   43    44    42    40  15.00000 -1.0 2.0
END
