* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    159    252     473
    1     0 S   NP   _N1_     1    29.03261    97.05585   -18.47548
    2     1 S   H    _HN1     2     1.02785    81.07725   -87.99448
    3     1 S   H    _H1_     3     1.02947    75.71902    23.66558
    4     1 S   H    _H2_     4     1.02832    51.01413   150.21952
    5     1 S   CT   _CA1     5     1.50117   161.22431   135.40899
    6     5 S   HC   _HA1     6     1.09573   105.16372    71.50256
    7     5 S   CO3  _C1_     7     1.53724   112.46379   -48.67171
    8     7 S   O2Z  _O11     8     1.26356   115.00742   -41.71150
    9     7 S   O2Z  _O12     9     1.26201   114.89575   137.28881
   10     5 S   CT   _CB1    10     1.53057   107.43309  -170.53035
   11    10 S   HC   HB11    11     1.09833   109.28026   -49.44887
   12    10 S   HC   HB12    12     1.09815   110.46676    67.12908
   13    10 S   CT   _CG1    13     1.53024   112.69720  -170.44757
   14    13 S   HC   HG11    14     1.09584   110.60084   -67.05336
   15    13 S   HC   HG12    15     1.09668   109.82030    52.18164
   16    13 S   C    _CD1    16     1.51855   112.11100   172.52929
   17    16 S   O    _OE1    17     1.22737   123.22356     7.57147
   18    16 S   N    _N2_    18     1.38628   111.75488  -172.62733
   19    18 S   H    _HN2    19     1.01586   118.94927     1.12135
   20    18 S   CT1  _CA2    20     1.46223   123.36674   177.38993
   21    20 S   HC   _HA2    21     1.09740   109.36065    -4.49728
   22    20 S   C    _C2_    22     1.53480   108.29345  -119.76489
   23    22 S   O    _O2_    23     1.23030   122.37548  -147.92103
   24    20 S   CT   _CB2    32     1.53369   111.72405   117.69797
   25    24 S   HC   HB21    33     1.09259   110.05251    58.10649
   26    24 S   HC   HB22    34     1.09551   110.14139   175.50255
   27    22 S   N    _N3_    24     1.38360   113.50680    39.53005
   28    27 S   H    _HN3    25     1.01619   119.49490    -3.51552
   29    24 S   S    _SG2    35     1.83045   111.34608   -66.61976
   30    27 S   CT   _CA3    26     1.45281   123.22763   177.06175
   31    30 S   HC   HA31    27     1.09549   107.52217   -64.19499
   32    30 S   HC   HA32    28     1.09556   107.97244    52.24371
   33    29 S   CT   _C23    36     1.86283   102.72852   126.71430
   34    30 S   CO3  _C3_    29     1.52957   114.06051   174.21660
   35    34 S   O2Z  _O31    30     1.26377   116.04744    -1.06054
   36    34 S   O2Z  _O32    31     1.26423   114.42254   179.00436
   37    33 S   CT   _C20    37     1.53497   108.93983    62.10846
   38    37 S   HC   _H43    38     1.09448   112.29093   -70.55639
   39    37 S   HC   _H44    39     1.09663   111.59980    50.81371
   40    37 S   HC   _H45    40     1.09475   111.44661   169.59406
   41    33 S   CT   _C21    41     1.54006   104.92956   179.24153
   42    41 S   HC   _H46    42     1.09670   111.68214    63.79594
   43    41 S   HC   _H47    43     1.09696   111.78505   -57.42023
   44    41 S   HC   _H48    44     1.09554   111.46315  -176.39793
   45    33 S   CT   _C22    45     1.54395   109.18086   -61.85060
   46    45 S   HC   _H49    46     1.09856   108.76227   -48.48050
   47    45 S   HC   _H50    47     1.09505   111.92866    70.03041
   48    45 S   CO4  _C11    48     1.51655   115.21236  -168.67923
   49    48 S   O    _O22    49     1.22225   125.43452   -36.91342
   50    48 S   OS   _O24    50     1.36488   108.93376   144.36724
   51    50 S   CT   _C18    51     1.43467   116.89486  -177.80777
   52    51 S   HC   _H41    52     1.09710   110.51262   -42.23405
   53    51 S   CM   _C7_    53     1.50737   109.39415  -163.74463
   54    53 S   CT   _C17    54     1.52059   110.42045  -123.92842
   55    54 S   HC   _H40    55     1.10116   105.51266   -88.21925
   56    53 S   CM   _C10    82     1.34092   122.51586    54.10678
   57    56 S   HC   _H30    83     1.08531   120.89716     1.06826
   58    56 S   HC   _H31    84     1.08340   122.31538  -178.71306
   59    54 S   CT   _C16    56     1.54440   102.91344    24.18153
   60    59 S   HC   _H39    57     1.09979   108.41499  -145.21141
   61    54 S   CT   _C19    71     1.53857   115.82109   152.37941
   62    61 S   HC   _H42    72     1.09836   110.38832   -39.05481
   63    59 S   CM   _C6_    58     1.52206   115.05982    96.41584
   64    51 S   CT   _C14    79     1.53050   111.08285    81.38088
   65    64 S   HC   _H36    80     1.09489   113.57031   -23.93564
   66    64 S   HC   _H37    81     1.09869   108.29891  -142.57318
   67    63 S   CT   _C12    59     1.51389   114.92182    84.62724
   68    67 S   HC   _H32    60     1.09776   109.01737    47.75717
   69    67 S   HC   _H33    61     1.09819   110.26580   162.53296
   70    63 S   CM   _C9_    76     1.34263   125.59165   -99.31291
   71    70 S   HC   _H28    77     1.08022   122.90885     1.97556
   72    70 S   HC   _H29    78     1.08587   121.07843  -178.64131
   73    67 S   CT   _C13    62     1.52878   114.84594   -75.37996
   74    73 S   HC   _H34    63     1.09716   107.00199   177.44687
   75    73 S   HC   _H35    64     1.09780   109.38356   -68.10741
   76    73 S   CT   _C15    65     1.53237   114.35237    55.81387
   77    76 S   HC   _H38    66     1.09813   110.24374    52.52704
   78    76 S   CM   _C4_    67     1.49485   115.20840   174.48715
   79    78 S   CO4  _C5_    68     1.47620   108.54483   145.25758
   80    79 S   O    _O21    69     1.21736   127.21229   168.75808
   81    78 S   CM   _C8_    73     1.33622   130.42433   -33.51343
   82    81 S   HC   _H26    74     1.08412   121.45865    -1.10924
   83    81 S   HC   _H27    75     1.08547   121.59227   179.22798
   84    79 S   OS   _O23    70     1.36057   106.82082    -9.81031
  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  13   5   4   3
  14   2   1   1  11   4   3   2   7   3   2   1   6   4   3   6
   2   9  14   7  15  20   9   5   1   1  16   7  14   6  13   4
   1   1  11   6   5   3   1   1   8   4   3   8   4   6   5   2
   3   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51  
   47    48    49    50  
   48    49    50  
   49    50    51    52    53    64  
   50    51  
   51    52    53    54    59    64    65    66    56  
   52    53    54    55    59    60    63    61    64    65    66    56    57    58  
   53    54    59    64    65    66    56  
   54    55    59    60    63    76    84    61    62    64    65    66    56    57    58  
   55    59    60    63    67    73    76    77    78    79    84    61    62    70    64    65    66    56    57    58  
   59    60    63    76    84    61    62    64    56  
   57    58    59    61    64  
   58  
    0  
   60    63    67    68    69    73    76    84    61    62    70    71    72    64    65    66  
   63    67    61    70    64    65    66  
   62    81    64    63    67    73    74    75    76    77    78    79    80    84  
   73    76    77    78    79    84  
   67    68    69    73    74    75    76    70    71    72    64    65    66  
   65    66    67    70  
   66  
    0  
   68    69    73    74    75    76    77    78    70    71    72  
   69    73    74    75    76    70  
   73    74    75    76    70  
   71    72    73  
   72  
    0  
   74    75    76    77    78    79    84    81  
   75    76    77    78  
   76    77    78  
   77    78    79    80    84    81    82    83  
   78    79    84    81  
   79    80    84    81    82    83  
   80    84    81    82    83  
   84    81  
   82    83    84  
   83  
    0  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    64   268.000  1.529
   53    54   317.000  1.510
   53    56   549.000  1.340
   54    55   340.000  1.090
   54    59   268.000  1.529
   54    61   268.000  1.529
   59    60   340.000  1.090
   59    63   317.000  1.510
   59    64   268.000  1.529
   63    67   317.000  1.510
   63    70   549.000  1.340
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   317.000  1.510
   76    61   268.000  1.529
   78    79   320.000  1.462
   78    81   549.000  1.340
   79    80   570.000  1.229
   79    84   214.000  1.327
   84    61   320.000  1.410
   61    62   340.000  1.090
   81    82   340.000  1.080
   81    83   340.000  1.080
   70    71   340.000  1.080
   70    72   340.000  1.080
   64    65   340.000  1.090
   64    66   340.000  1.090
   56    57   340.000  1.080
   56    58   340.000  1.080
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    37.50000  110.70000
   33    45    48    63.00000  111.10000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    80.00000  120.40000
   45    48    50    81.00000  111.40000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    83.00000  116.90000
   50    48    49    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    85.00000  110.90400
   50    51    64    50.00000  109.50000
   51    53    54    65.00000  117.92700
   51    53    56    70.00000  124.00000
   51    64    59    58.35000  112.70000
   51    64    65    37.50000  110.70000
   51    64    66    37.50000  110.70000
   53    51    52    35.00000  109.50000
   53    54    55    35.00000  109.50000
   53    54    59    70.00000  112.02700
   53    54    61    70.00000  112.02700
   53    56    57    35.00000  120.00000
   53    56    58    35.00000  120.00000
   54    59    60    37.50000  110.70000
   54    59    63    70.00000  112.02700
   54    59    64    58.35000  112.70000
   54    61    76    58.35000  112.70000
   54    61    84    50.00000  109.50000
   54    61    62    37.50000  110.70000
   59    54    55    37.50000  110.70000
   59    63    67    65.00000  117.92700
   59    63    70    70.00000  124.00000
   59    64    65    37.50000  110.70000
   59    64    66    37.50000  110.70000
   63    59    60    35.00000  109.50000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    73    70.00000  112.02700
   63    70    71    35.00000  120.00000
   63    70    72    35.00000  120.00000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    76    58.35000  112.70000
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    70.00000  112.02700
   73    76    61    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    78    79    65.00000  116.34900
   76    78    81    70.00000  124.00000
   76    61    84    50.00000  109.50000
   76    61    62    37.50000  110.70000
   78    76    77    35.00000  109.50000
   78    79    80    80.00000  123.72100
   78    79    84    90.00000  111.29400
   78    81    82    35.00000  120.00000
   78    81    83    35.00000  120.00000
   79    84    61    83.00000  116.90000
   84    79    80    83.00000  123.40000
   84    61    62    35.00000  109.50000
   61    54    55    37.50000  110.70000
   61    54    59    58.35000  112.70000
   61    76    77    37.50000  110.70000
   61    76    78    70.00000  112.02700
   81    78    79    65.00000  118.96000
   83    81    82    35.00000  117.00000
   70    63    67    70.00000  124.00000
   72    70    71    35.00000  117.00000
   64    51    52    37.50000  110.70000
   64    51    53    70.00000  112.02700
   64    59    60    37.50000  110.70000
   64    59    63    70.00000  112.02700
   66    64    65    33.00000  107.80000
   56    53    54    70.00000  124.00000
   58    56    57    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.15000  1.0 3.0
   29    33    45    48   0.56750  1.0 1.0
   29    33    45    48  -0.07550 -1.0 2.0
   29    33    45    48   0.20000  1.0 3.0
   33    45    48    49   0.30150 -1.0 2.0
   33    45    48    50   0.36750  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.15000  1.0 3.0
   37    33    45    48  -0.95700  1.0 1.0
   37    33    45    48  -0.18200 -1.0 2.0
   37    33    45    48   0.29450  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.15000  1.0 3.0
   41    33    45    47   0.15000  1.0 3.0
   41    33    45    48  -0.95700  1.0 1.0
   41    33    45    48  -0.18200 -1.0 2.0
   41    33    45    48   0.29450  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.15000  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    48    50    51   1.63150  1.0 1.0
   45    48    50    51   2.92000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    50   0.00000  1.0 1.0
   48    50    51    52   0.08050  1.0 3.0
   48    50    51    53  -0.82050  1.0 1.0
   48    50    51    53   0.00600 -1.0 2.0
   48    50    51    53   0.04400  1.0 3.0
   48    50    51    64  -0.25900  1.0 1.0
   48    50    51    64  -0.47000 -1.0 2.0
   48    50    51    64   0.11750  1.0 3.0
   49    48    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.09700  1.0 1.0
   50    51    53    54   0.15600 -1.0 2.0
   50    51    53    54  -0.50800  1.0 3.0
   50    51    53    56   0.39000  1.0 1.0
   50    51    53    56  -0.05800 -1.0 2.0
   50    51    53    56  -0.55150  1.0 3.0
   50    51    64    59   0.62750  1.0 1.0
   50    51    64    59  -0.30950 -1.0 2.0
   50    51    64    59   0.27300  1.0 3.0
   50    51    64    65   0.23400  1.0 3.0
   50    51    64    66   0.23400  1.0 3.0
   51    53    54    55   0.34800  1.0 3.0
   51    53   -54    59   0.46850  1.0 1.0
   51    53   -54    59   0.08550 -1.0 2.0
   51    53   -54    59   0.09800  1.0 3.0
   51    53    54    61   0.46850  1.0 1.0
   51    53    54    61   0.08550 -1.0 2.0
   51    53    54    61   0.09800  1.0 3.0
   51    53    56    57   7.00000 -1.0 2.0
   51    53    56    58   7.00000 -1.0 2.0
   52    51    53    54   0.34800  1.0 3.0
   52    51    53    56   0.00000  1.0 1.0
   52    51    64    59   0.15000  1.0 3.0
   52    51    64    65   0.15000  1.0 3.0
   52    51    64    66   0.15000  1.0 3.0
   53    51   -64    59   0.34400  1.0 1.0
   53    51   -64    59   0.09450 -1.0 2.0
   53    51   -64    59   0.11100  1.0 3.0
   53    51    64    65   0.15000  1.0 3.0
   53    51    64    66   0.15000  1.0 3.0
   53    54    59    60   0.15000  1.0 3.0
   53    54    59    63   0.31000  1.0 1.0
   53    54    59    63   0.14700 -1.0 2.0
   53    54    59    63   0.07550  1.0 3.0
   53    54   -59    64   0.34400  1.0 1.0
   53    54   -59    64   0.09450 -1.0 2.0
   53    54   -59    64   0.11100  1.0 3.0
   53    54    61    76   0.34400  1.0 1.0
   53    54    61    76   0.09450 -1.0 2.0
   53    54    61    76   0.11100  1.0 3.0
   53    54    61    84   0.61850  1.0 1.0
   53    54    61    84  -0.22750 -1.0 2.0
   53    54    61    84   0.15300  1.0 3.0
   53    54    61    62   0.15000  1.0 3.0
   54    53    56    57   7.00000 -1.0 2.0
   54    53    56    58   7.00000 -1.0 2.0
   54    59    63    67   0.46850  1.0 1.0
   54    59    63    67   0.08550 -1.0 2.0
   54    59    63    67   0.09800  1.0 3.0
   54    59    63    70   0.09850  1.0 1.0
   54    59    63    70   0.15250 -1.0 2.0
   54    59    63    70  -0.50650  1.0 3.0
   54    59   -64    51   0.56750  1.0 1.0
   54    59   -64    51  -0.07550 -1.0 2.0
   54    59   -64    51   0.20000  1.0 3.0
   54    59    64    65   0.15000  1.0 3.0
   54    59    64    66   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    63   0.15000  1.0 3.0
   55    54    59    64   0.15000  1.0 3.0
   55    54    61    76   0.15000  1.0 3.0
   55    54    61    84   0.23400  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   59    54    61    76   0.56750  1.0 1.0
   59    54    61    76  -0.07550 -1.0 2.0
   59    54    61    76   0.20000  1.0 3.0
   59    54    61    84   0.62750  1.0 1.0
   59    54    61    84  -0.30950 -1.0 2.0
   59    54    61    84   0.27300  1.0 3.0
   59    54    61    62   0.15000  1.0 3.0
   59    63    67    68   0.34800  1.0 3.0
   59    63    67    69   0.34800  1.0 3.0
   59    63    67    73   0.46850  1.0 1.0
   59    63    67    73   0.08550 -1.0 2.0
   59    63    67    73   0.09800  1.0 3.0
   59    63    70    71   7.00000 -1.0 2.0
   59    63    70    72   7.00000 -1.0 2.0
   60    59    63    67   0.34800  1.0 3.0
   60    59    63    70   0.00000  1.0 1.0
   60    59    64    51   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    66   0.15000  1.0 3.0
   63    59    64    51   0.34400  1.0 1.0
   63    59    64    51   0.09450 -1.0 2.0
   63    59    64    51   0.11100  1.0 3.0
   63    59    64    65   0.15000  1.0 3.0
   63    59    64    66   0.15000  1.0 3.0
   63    67    73    74   0.15000  1.0 3.0
   63    67    73    75   0.15000  1.0 3.0
   63    67    73    76   0.34400  1.0 1.0
   63    67    73    76   0.09450 -1.0 2.0
   63    67    73    76   0.11100  1.0 3.0
   67    63    70    71   7.00000 -1.0 2.0
   67    63    70    72   7.00000 -1.0 2.0
   67    73    76    77   0.15000  1.0 3.0
   67    73    76    78   0.34400  1.0 1.0
   67    73    76    78   0.09450 -1.0 2.0
   67    73    76    78   0.11100  1.0 3.0
   67    73    76    61   0.56750  1.0 1.0
   67    73    76    61  -0.07550 -1.0 2.0
   67    73    76    61   0.20000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    76   0.15000  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    76   0.15000  1.0 3.0
   73    76    78    79   0.09700  1.0 1.0
   73    76    78    79   0.15600 -1.0 2.0
   73    76    78    79  -0.50800  1.0 3.0
   73    76    78    81   0.09850  1.0 1.0
   73    76    78    81   0.15250 -1.0 2.0
   73    76    78    81  -0.50650  1.0 3.0
   73    76    61    54   0.56750  1.0 1.0
   73    76    61    54  -0.07550 -1.0 2.0
   73    76    61    54   0.20000  1.0 3.0
   73    76    61    84   0.62750  1.0 1.0
   73    76    61    84  -0.30950 -1.0 2.0
   73    76    61    84   0.27300  1.0 3.0
   73    76    61    62   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    61   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    61   0.15000  1.0 3.0
   76    78    79    80  -0.64400  1.0 1.0
   76    78    79    80   0.26850 -1.0 2.0
   76    78   -79    84  -0.15000  1.0 1.0
   76    78   -79    84   0.89550 -1.0 2.0
   76    78   -79    84  -0.06900  1.0 3.0
   76    78    81    82   7.00000 -1.0 2.0
   76    78    81    83   7.00000 -1.0 2.0
   77    76    78    79   0.15000  1.0 3.0
   77    76    78    81   0.00000  1.0 1.0
   77    76    61    54   0.15000  1.0 3.0
   77    76    61    84   0.23400  1.0 3.0
   77    76    61    62   0.15000  1.0 3.0
   78    76    61    54   0.34400  1.0 1.0
   78    76    61    54   0.09450 -1.0 2.0
   78    76    61    54   0.11100  1.0 3.0
   78    76   -61    84   0.61850  1.0 1.0
   78    76   -61    84  -0.22750 -1.0 2.0
   78    76   -61    84   0.15300  1.0 3.0
   78    76    61    62   0.15000  1.0 3.0
   78    79   -84    61   2.00000 -1.0 2.0
   79    78    81    82   7.00000 -1.0 2.0
   79    78    81    83   7.00000 -1.0 2.0
   79    84    61    54  -0.25900  1.0 1.0
   79    84    61    54  -0.47000 -1.0 2.0
   79    84    61    54   0.11750  1.0 3.0
   79    84   -61    76  -0.25900  1.0 1.0
   79    84   -61    76  -0.47000 -1.0 2.0
   79    84   -61    76   0.11750  1.0 3.0
   79    84    61    62   0.08050  1.0 3.0
   80    79    84    61   3.00000 -1.0 2.0
   61    54    59    60   0.15000  1.0 3.0
   61    54    59    63   0.34400  1.0 1.0
   61    54    59    63   0.09450 -1.0 2.0
   61    54    59    63   0.11100  1.0 3.0
   61    54    59    64   0.56750  1.0 1.0
   61    54    59    64  -0.07550 -1.0 2.0
   61    54    59    64   0.20000  1.0 3.0
   61    76   -78    79   0.09700  1.0 1.0
   61    76   -78    79   0.15600 -1.0 2.0
   61    76   -78    79  -0.50800  1.0 3.0
   61    76    78    81   0.09850  1.0 1.0
   61    76    78    81   0.15250 -1.0 2.0
   61    76    78    81  -0.50650  1.0 3.0
   81    78    79    80   1.00000 -1.0 2.0
   81    78    79    84  -0.56150  1.0 1.0
   81    78    79    84   2.19150 -1.0 2.0
   70    63    67    68   0.00000  1.0 1.0
   70    63    67    69   0.00000  1.0 1.0
   70    63    67    73   0.09850  1.0 1.0
   70    63    67    73   0.15250 -1.0 2.0
   70    63    67    73  -0.50650  1.0 3.0
   64    51   -53    54   0.46850  1.0 1.0
   64    51   -53    54   0.08550 -1.0 2.0
   64    51   -53    54   0.09800  1.0 3.0
   64    51    53    56   0.09850  1.0 1.0
   64    51    53    56   0.15250 -1.0 2.0
   64    51    53    56  -0.50650  1.0 3.0
   64    59    63    67   0.46850  1.0 1.0
   64    59    63    67   0.08550 -1.0 2.0
   64    59    63    67   0.09800  1.0 3.0
   64    59    63    70   0.09850  1.0 1.0
   64    59    63    70   0.15250 -1.0 2.0
   64    59    63    70  -0.50650  1.0 3.0
   56    53    54    55   0.00000  1.0 1.0
   56    53    54    59   0.09850  1.0 1.0
   56    53    54    59   0.15250 -1.0 2.0
   56    53    54    59  -0.50650  1.0 3.0
   56    53    54    61   0.09850  1.0 1.0
   56    53    54    61   0.15250 -1.0 2.0
   56    53    54    61  -0.50650  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   45    50    48    49  10.50000 -1.0 2.0
   51    54    53    56   1.10000 -1.0 2.0
   59    67    63    70   1.10000 -1.0 2.0
   76    79    78    81   1.10000 -1.0 2.0
   78    84    79    80  10.50000 -1.0 2.0
   82    83    81    78   1.10000 -1.0 2.0
   71    72    70    63   1.10000 -1.0 2.0
   57    58    56    53   1.10000 -1.0 2.0
END
