* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    163    256     483
    1     0 S   NP   _N1_     1    29.64134    91.31136   -22.70136
    2     1 S   H    _HN1     2     1.02783    98.24357   -83.89412
    3     1 S   H    _H1_     3     1.02971   105.71873    27.80056
    4     1 S   H    _H2_     4     1.02833    11.26320   126.46375
    5     1 S   CT   _CA1     5     1.50144   120.89481   153.97560
    6     5 S   HC   _HA1     6     1.09568   105.31206    53.86965
    7     5 S   CO3  _C1_     7     1.53804   112.24259   -66.45684
    8     7 S   O2Z  _O11     8     1.26360   115.02628   -46.32243
    9     7 S   O2Z  _O12     9     1.26240   114.90378   132.81088
   10     5 S   CT   _CB1    10     1.53006   107.31216   171.76885
   11    10 S   HC   HB11    11     1.09827   109.37368   -50.80376
   12    10 S   HC   HB12    12     1.09811   110.30159    65.61414
   13    10 S   CT   _CG1    13     1.53077   112.91000  -172.08079
   14    13 S   HC   HG11    14     1.09576   110.33166   -59.66021
   15    13 S   HC   HG12    15     1.09593   110.34980    59.78231
   16    13 S   C    _CD1    16     1.51705   111.55760   179.88131
   17    16 S   O    _OE1    17     1.22756   122.88877   -15.27118
   18    16 S   N    _N2_    18     1.38637   112.12494   165.08295
   19    18 S   H    _HN2    19     1.01565   119.32157     3.47283
   20    18 S   CT1  _CA2    20     1.46074   122.91188  -174.80258
   21    20 S   HC   _HA2    21     1.09458   109.05324    -7.94735
   22    20 S   C    _C2_    22     1.53229   109.09167  -122.50989
   23    22 S   O    _O2_    23     1.22992   122.23969  -144.79551
   24    20 S   CT   _CB2    32     1.53654   111.87062   113.92571
   25    24 S   HC   HB21    33     1.09661   109.35762    69.26567
   26    24 S   HC   HB22    34     1.09554   110.69341  -173.88362
   27    22 S   N    _N3_    24     1.38517   113.17995    42.95755
   28    27 S   H    _HN3    25     1.01527   118.89308    -1.42230
   29    24 S   S    _SG2    35     1.83438   115.24303   -49.81145
   30    27 S   CT   _CA3    26     1.45417   123.53504   173.71475
   31    30 S   HC   HA31    27     1.09511   109.40099    22.09670
   32    30 S   HC   HA32    28     1.09495   107.12973   139.18939
   33    29 S   CT   _C10    36     1.83737   100.86628   -65.50991
   34    33 S   HC   _H5_    37     1.07839   103.35375    39.96289
   35    30 S   CO3  _C3_    29     1.52943   112.83837  -101.41686
   36    35 S   O2Z  _O31    30     1.26417   115.32977   -46.85297
   37    35 S   O2Z  _O32    31     1.26337   115.04624   134.04226
   38    33 S   CM   _C8_    38     1.51465   113.94656   154.13425
   39    33 S   CM   _C11    64     1.52057   111.09181   -79.13433
   40    38 S   CM   _C9_    39     1.34200   129.60987    -6.15530
   41    40 S   HC   _H12    40     1.08124   125.29728    -0.75485
   42    39 S   CT   _C23    65     1.52823   114.48795   -57.80759
   43    42 S   HC   _H26    66     1.09493   110.99460   -43.31246
   44    42 S   HC   _H27    67     1.09459   113.24804  -162.29916
   45    42 S   HC   _H28    68     1.09457   110.58211    77.22735
   46    40 S   CT   _C5_    41     1.49529   113.39273   179.28482
   47    46 S   HC   _H3_    42     1.09634   109.80466  -124.58936
   48    46 S   CT   _C6_    43     1.53464   103.17361    -7.91562
   49    48 S   HC   _H10    44     1.09600   112.76168   138.19500
   50    48 S   HC   _H11    45     1.09883   108.60326  -104.24741
   51    46 S   CT   _C4_    81     1.52335   112.05089   114.36397
   52    51 S   HC   _H7_    82     1.09441   112.19902   -56.39541
   53    51 S   HC   _H8_    83     1.09505   110.57808  -176.95792
   54    51 S   HC   _H9_    84     1.09566   110.67303    63.66725
   55    38 S   CT   _C7_    46     1.51212   119.59899   173.72062
   56    55 S   HC   _H4_    47     1.09042   112.21707   -55.05358
   57    55 S   CO4  _C16    48     1.52757   110.65815    69.39049
   58    57 S   O    _O33    49     1.23683   120.00063    71.09945
   59    57 S   CT   _C15    50     1.55269   119.95991  -104.96023
   60    59 S   CO4  _C17    51     1.53612   107.59144  -161.89411
   61    60 S   O    _O34    52     1.22689   124.18592    69.92198
   62    59 S   CT   _C22    77     1.52659   113.44189   -44.33376
   63    62 S   HC   _H23    78     1.08985   113.34505    66.96013
   64    62 S   HC   _H24    79     1.09707   110.57545   -52.21918
   65    62 S   HC   _H25    80     1.09430   111.94893  -171.30894
   66    60 S   CT   _C18    53     1.49989   112.85956  -106.08454
   67    66 S   HC   _H15    54     1.09509   108.16308    89.48972
   68    66 S   HC   _H16    55     1.09331   110.91813  -150.03061
   69    66 S   CT   _C19    56     1.53249   101.87361   -29.14441
   70    59 S   CT   _C14    57     1.56276   109.58091    88.62673
   71    70 S   HC   _H6_    58     1.09313   106.26876    18.51732
   72    69 S   CT   _C20    69     1.54188   109.11914   -86.87931
   73    72 S   HC   _H17    70     1.09505   111.80979  -173.17901
   74    72 S   HC   _H18    71     1.09295   112.29638    64.98846
   75    72 S   HC   _H19    72     1.09675   110.71240   -54.75746
   76    69 S   CT   _C21    73     1.53904   109.82665   154.97955
   77    76 S   HC   _H20    74     1.09503   111.42564  -179.42631
   78    76 S   HC   _H21    75     1.09597   110.95812    60.56495
   79    76 S   HC   _H22    76     1.09548   111.55278   -59.08183
   80    70 S   CT   _C13    59     1.55967   119.64713  -102.50726
   81    80 S   HC   _H13    60     1.09889   105.37744   -80.89357
   82    80 S   HC   _H14    61     1.10088   107.24535   168.69341
   83    80 S   CMA  _C12    62     1.54869   125.01882    44.05003
   84    83 S   OM   _O35    63     1.26787   108.33327  -133.51942
  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
  17   6   2   1   1  16  12  13   5   6   3   2   1  11   8  11
   5   4   4   2   1   1   7   3  13   4  18  14   6   8   3   2
   1  14   5   4  14  14   6   8   3   2   1   4   2   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    55    83    39    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    46    48    55    56    57    80    83    84    39    42    43    44    45  
   38    40    55    83    39    42  
   36    37  
   37  
    0  
   40    41    46    47    48    49    50    55    56    57    58    59    83    39    42    51  
   42    43    44    45    40    55    70    80    81    82    83    84  
   41    46    47    48    49    50    55    56    57    51    52    53    54  
   46    47    48    55    51  
   43    44    45    80    83    84  
   44    45    83  
   45    83  
   83  
   47    48    49    50    55    56    57    51    52    53    54  
   48    49    50    55    51    52    53    54  
   49    50    55    56    57    58    59    51    52    53    54  
   50    55    56    57    51  
   55    56    57    51  
   52    53    54    55  
   53    54  
   54  
    0  
   56    57    58    59    60    70    62  
   57    58    59  
   58    59    60    61    66    69    70    71    80    62    63    64    65  
   59    60    70    62  
   60    61    66    67    68    69    70    71    80    81    82    83    72    76    62    63    64    65  
   61    66    67    68    69    70    71    80    72    76    62    63    64    65  
   66    67    68    69    70    62  
   63    64    65    66    69    70    71    80  
   64    65    70  
   65    70  
   70  
   67    68    69    70    71    80    72    73    74    75    76    77    78    79  
   68    69    70    72    76  
   69    70    72    76  
   70    71    80    81    82    83    72    73    74    75    76    77    78    79  
   71    80    81    82    83    84    72    73    74    75    76    77    78    79  
   80    81    82    83    72    76  
   73    74    75    76    77    78    79    80  
   74    75    76  
   75    76  
   76  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   84   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    40   549.000  1.340
   38    55   317.000  1.510
   40    41   340.000  1.080
   40    46   317.000  1.510
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   317.000  1.522
   57    58   570.000  1.229
   57    59   317.000  1.522
   59    60   317.000  1.522
   59    70   268.000  1.529
   59    62   268.000  1.529
   60    61   570.000  1.229
   60    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   268.000  1.529
   69    72   268.000  1.529
   69    76   268.000  1.529
   70    71   340.000  1.090
   70    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   270.000  1.512
   83    84   745.000  1.250
   83    39   465.000  1.376
   39    42   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    38    40    70.00000  124.00000
   33    38    55    65.00000  117.92700
   33    39    83    70.00000  124.00000
   33    39    42    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    35.00000  120.00000
   38    40    46    70.00000  124.00000
   38    55    48    70.00000  112.02700
   38    55    56    35.00000  109.50000
   38    55    57    70.00000  109.06800
   40    46    47    35.00000  109.50000
   40    46    48    70.00000  112.02700
   40    46    51    70.00000  112.02700
   46    40    41    35.00000  117.00000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    55    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    63.00000  111.10000
   50    48    49    33.00000  107.80000
   55    38    40    70.00000  124.00000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    57    58    80.00000  120.40000
   55    57    59    70.00000  116.00000
   57    55    56    35.00000  109.50000
   57    59    60    75.00000  107.99600
   57    59    70    63.00000  111.10000
   57    59    62    63.00000  111.10000
   59    57    58    80.00000  120.40000
   59    60    61    80.00000  120.40000
   59    60    66    70.00000  116.00000
   59    70    69    58.35000  112.70000
   59    70    71    37.50000  110.70000
   59    70    80    58.35000  112.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    65    37.50000  110.70000
   60    66    67    35.00000  109.50000
   60    66    68    35.00000  109.50000
   60    66    69    63.00000  111.10000
   66    60    61    80.00000  120.40000
   66    69    70    58.35000  112.70000
   66    69    72    58.35000  112.70000
   66    69    76    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    37.50000  110.70000
   69    70    80    58.35000  112.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    37.50000  110.70000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    79    37.50000  110.70000
   70    59    60    63.00000  111.10000
   70    80    81    37.50000  110.70000
   70    80    82    37.50000  110.70000
   70    80    83    70.00000  112.02700
   80    70    71    37.50000  110.70000
   80    83    84    85.00000  112.85300
   80    83    39    65.00000  122.18000
   82    80    81    33.00000  107.80000
   83    80    81    45.00000  110.52000
   83    80    82    45.00000  110.52000
   83    39    42    70.00000  124.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  110.12100
   39    83    84    65.00000  137.10300
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   72    69    70    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
   76    69    70    58.35000  112.70000
   76    69    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   62    59    60    63.00000  111.10000
   62    59    70    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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   0.32350  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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   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    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    38    55   0.30250  1.0 1.0
   29    33    38    55  -0.14950 -1.0 2.0
   29    33    38    55   0.36900  1.0 3.0
   29    33    39    83   0.42700  1.0 1.0
   29    33    39    83  -0.70350 -1.0 2.0
   29    33    39    83  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    46   7.00000 -1.0 2.0
   33    38    55    48   0.46850  1.0 1.0
   33    38    55    48   0.08550 -1.0 2.0
   33    38    55    48   0.09800  1.0 3.0
   33    38    55    56   0.34800  1.0 3.0
   33    38    55    57   0.17250  1.0 1.0
   33    38    55    57  -0.04100 -1.0 2.0
   33    38    55    57  -0.33850  1.0 3.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    55   0.34800  1.0 3.0
   34    33    39    83   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   38    33    39    83  -0.28300  1.0 1.0
   38    33    39    83   0.26700 -1.0 2.0
   38    33    39    83  -0.63300  1.0 3.0
   38    33    39    42   0.09700  1.0 1.0
   38    33    39    42   0.15600 -1.0 2.0
   38    33    39    42  -0.50800  1.0 3.0
   38    40    46    47   0.00000  1.0 1.0
   38    40   -46    48   0.09850  1.0 1.0
   38    40   -46    48   0.15250 -1.0 2.0
   38    40   -46    48  -0.50650  1.0 3.0
   38    40    46    51   0.09850  1.0 1.0
   38    40    46    51   0.15250 -1.0 2.0
   38    40    46    51  -0.50650  1.0 3.0
   38    55    57    58   0.30150 -1.0 2.0
   38    55    57    59   0.65300  1.0 1.0
   38    55    57    59  -0.03850 -1.0 2.0
   38    55    57    59   0.33900  1.0 3.0
   40    38   -55    48   0.09850  1.0 1.0
   40    38   -55    48   0.15250 -1.0 2.0
   40    38   -55    48  -0.50650  1.0 3.0
   40    38    55    56   0.00000  1.0 1.0
   40    38    55    57  -0.51250  1.0 1.0
   40    38    55    57  -0.88800 -1.0 2.0
   40    38    55    57   0.08850  1.0 3.0
   40    46    48    49   0.15000  1.0 3.0
   40    46    48    50   0.15000  1.0 3.0
   40    46   -48    55   0.34400  1.0 1.0
   40    46   -48    55   0.09450 -1.0 2.0
   40    46   -48    55   0.11100  1.0 3.0
   40    46    51    52   0.15000  1.0 3.0
   40    46    51    53   0.15000  1.0 3.0
   40    46    51    54   0.15000  1.0 3.0
   41    40    46    47   0.33100  1.0 3.0
   41    40    46    48   0.00000  1.0 1.0
   41    40    46    51   0.00000  1.0 1.0
   46    48   -55    38   0.34400  1.0 1.0
   46    48   -55    38   0.09450 -1.0 2.0
   46    48   -55    38   0.11100  1.0 3.0
   46    48    55    56   0.15000  1.0 3.0
   46    48    55    57  -0.95700  1.0 1.0
   46    48    55    57  -0.18200 -1.0 2.0
   46    48    55    57   0.29450  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    55   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    54   0.15000  1.0 3.0
   48    55    57    58   0.30150 -1.0 2.0
   48    55    57    59   0.60050  1.0 1.0
   48    55    57    59   0.05600 -1.0 2.0
   48    55    57    59   0.26150  1.0 3.0
   49    48    55    38   0.15000  1.0 3.0
   49    48    55    56   0.15000  1.0 3.0
   49    48    55    57  -0.11250  1.0 3.0
   50    48    55    38   0.15000  1.0 3.0
   50    48    55    56   0.15000  1.0 3.0
   50    48    55    57  -0.11250  1.0 3.0
   55    38    40    41   7.00000 -1.0 2.0
   55    38   -40    46   7.00000 -1.0 2.0
   55    57    59    60   0.65300  1.0 1.0
   55    57    59    60  -0.03850 -1.0 2.0
   55    57    59    60   0.33900  1.0 3.0
   55    57    59    70   0.60050  1.0 1.0
   55    57    59    70   0.05600 -1.0 2.0
   55    57    59    70   0.26150  1.0 3.0
   55    57    59    62   0.60050  1.0 1.0
   55    57    59    62   0.05600 -1.0 2.0
   55    57    59    62   0.26150  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   57    59    60    61   0.30150 -1.0 2.0
   57    59    60    66   0.65300  1.0 1.0
   57    59    60    66  -0.03850 -1.0 2.0
   57    59    60    66   0.33900  1.0 3.0
   57    59    70    69  -0.95700  1.0 1.0
   57    59    70    69  -0.18200 -1.0 2.0
   57    59    70    69   0.29450  1.0 3.0
   57    59    70    71  -0.11250  1.0 3.0
   57    59    70    80  -0.95700  1.0 1.0
   57    59    70    80  -0.18200 -1.0 2.0
   57    59    70    80   0.29450  1.0 3.0
   57    59    62    63  -0.11250  1.0 3.0
   57    59    62    64  -0.11250  1.0 3.0
   57    59    62    65  -0.11250  1.0 3.0
   58    57    59    60   0.30150 -1.0 2.0
   58    57    59    70   0.30150 -1.0 2.0
   58    57    59    62   0.30150 -1.0 2.0
   59    60    66    67   0.00000  1.0 1.0
   59    60    66    68   0.00000  1.0 1.0
   59    60   -66    69   0.60050  1.0 1.0
   59    60   -66    69   0.05600 -1.0 2.0
   59    60   -66    69   0.26150  1.0 3.0
   59    70    80    81   0.15000  1.0 3.0
   59    70    80    82   0.15000  1.0 3.0
   59    70    80    83   0.34400  1.0 1.0
   59    70    80    83   0.09450 -1.0 2.0
   59    70    80    83   0.11100  1.0 3.0
   60    59   -70    69  -0.95700  1.0 1.0
   60    59   -70    69  -0.18200 -1.0 2.0
   60    59   -70    69   0.29450  1.0 3.0
   60    59    70    71  -0.11250  1.0 3.0
   60    59    70    80  -0.95700  1.0 1.0
   60    59    70    80  -0.18200 -1.0 2.0
   60    59    70    80   0.29450  1.0 3.0
   60    59    62    63  -0.11250  1.0 3.0
   60    59    62    64  -0.11250  1.0 3.0
   60    59    62    65  -0.11250  1.0 3.0
   60    66   -69    70  -0.95700  1.0 1.0
   60    66   -69    70  -0.18200 -1.0 2.0
   60    66   -69    70   0.29450  1.0 3.0
   60    66    69    72  -0.95700  1.0 1.0
   60    66    69    72  -0.18200 -1.0 2.0
   60    66    69    72   0.29450  1.0 3.0
   60    66    69    76  -0.95700  1.0 1.0
   60    66    69    76  -0.18200 -1.0 2.0
   60    66    69    76   0.29450  1.0 3.0
   61    60    66    67   0.00000  1.0 1.0
   61    60    66    68   0.00000  1.0 1.0
   61    60    66    69   0.30150 -1.0 2.0
   66    69   -70    59   0.56750  1.0 1.0
   66    69   -70    59  -0.07550 -1.0 2.0
   66    69   -70    59   0.20000  1.0 3.0
   66    69    70    71   0.15000  1.0 3.0
   66    69    70    80   0.56750  1.0 1.0
   66    69    70    80  -0.07550 -1.0 2.0
   66    69    70    80   0.20000  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
   66    69    76    77   0.15000  1.0 3.0
   66    69    76    78   0.15000  1.0 3.0
   66    69    76    79   0.15000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   67    66    69    76   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   68    66    69    76   0.15000  1.0 3.0
   69    70    80    81   0.15000  1.0 3.0
   69    70    80    82   0.15000  1.0 3.0
   69    70    80    83   0.34400  1.0 1.0
   69    70    80    83   0.09450 -1.0 2.0
   69    70    80    83   0.11100  1.0 3.0
   70    59    60    61   0.30150 -1.0 2.0
   70    59   -60    66   0.60050  1.0 1.0
   70    59   -60    66   0.05600 -1.0 2.0
   70    59   -60    66   0.26150  1.0 3.0
   70    59    62    63   0.15000  1.0 3.0
   70    59    62    64   0.15000  1.0 3.0
   70    59    62    65   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    78   0.15000  1.0 3.0
   70    69    76    79   0.15000  1.0 3.0
   70    80    83    84   0.09700  1.0 1.0
   70    80    83    84   0.15600 -1.0 2.0
   70    80    83    84  -0.50800  1.0 3.0
   70    80    83    39   0.09850  1.0 1.0
   70    80    83    39   0.15250 -1.0 2.0
   70    80    83    39  -0.50650  1.0 3.0
   71    70    80    81   0.15000  1.0 3.0
   71    70    80    82   0.15000  1.0 3.0
   71    70    80    83   0.15000  1.0 3.0
   80    83    39    33   7.00000 -1.0 2.0
   80    83    39    42   7.00000 -1.0 2.0
   81    80    83    84   0.00000  1.0 1.0
   81    80    83    39   0.00000  1.0 1.0
   82    80    83    84   0.00000  1.0 1.0
   82    80    83    39   0.00000  1.0 1.0
   83    39    42    43   0.00000  1.0 1.0
   83    39    42    44   0.00000  1.0 1.0
   83    39    42    45   0.00000  1.0 1.0
   84    83    39    33   7.00000 -1.0 2.0
   84    83    39    42   7.00000 -1.0 2.0
   39    33    38    40  -0.28300  1.0 1.0
   39    33    38    40   0.26700 -1.0 2.0
   39    33    38    40  -0.63300  1.0 3.0
   39    33    38    55   0.09700  1.0 1.0
   39    33    38    55   0.15600 -1.0 2.0
   39    33    38    55  -0.50800  1.0 3.0
   72    69    70    59   0.56750  1.0 1.0
   72    69    70    59  -0.07550 -1.0 2.0
   72    69    70    59   0.20000  1.0 3.0
   72    69    70    71   0.15000  1.0 3.0
   72    69    70    80   0.56750  1.0 1.0
   72    69    70    80  -0.07550 -1.0 2.0
   72    69    70    80   0.20000  1.0 3.0
   72    69    76    77   0.15000  1.0 3.0
   72    69    76    78   0.15000  1.0 3.0
   72    69    76    79   0.15000  1.0 3.0
   76    69    70    59   0.56750  1.0 1.0
   76    69    70    59  -0.07550 -1.0 2.0
   76    69    70    59   0.20000  1.0 3.0
   76    69    70    71   0.15000  1.0 3.0
   76    69    70    80   0.56750  1.0 1.0
   76    69    70    80  -0.07550 -1.0 2.0
   76    69    70    80   0.20000  1.0 3.0
   76    69    72    73   0.15000  1.0 3.0
   76    69    72    74   0.15000  1.0 3.0
   76    69    72    75   0.15000  1.0 3.0
   62    59    60    61   0.30150 -1.0 2.0
   62    59    60    66   0.60050  1.0 1.0
   62    59    60    66   0.05600 -1.0 2.0
   62    59    60    66   0.26150  1.0 3.0
   62    59    70    69   0.56750  1.0 1.0
   62    59    70    69  -0.07550 -1.0 2.0
   62    59    70    69   0.20000  1.0 3.0
   62    59    70    71   0.15000  1.0 3.0
   62    59    70    80   0.56750  1.0 1.0
   62    59    70    80  -0.07550 -1.0 2.0
   62    59    70    80   0.20000  1.0 3.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    55   0.56750  1.0 1.0
   51    46    48    55  -0.07550 -1.0 2.0
   51    46    48    55   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    55    38    40   1.10000 -1.0 2.0
   46    41    40    38   1.10000 -1.0 2.0
   55    59    57    58  10.50000 -1.0 2.0
   59    66    60    61  10.50000 -1.0 2.0
   80    84    83    39   1.10000 -1.0 2.0
   33    42    39    83   1.10000 -1.0 2.0
END
