* LIGAND DATABASE FILE (OPLS2005)
*
001      92    94    155    253     464
    1     0 S   NP   _N1_     1    29.45934    98.27660   -21.95723
    2     1 S   H    _HN1     2     1.02958    71.04826    38.88469
    3     1 S   H    _H1_     3     1.02836    49.68741   173.09601
    4     1 S   H    _H2_     4     1.02782    88.00395   -71.27471
    5     1 S   CT   _CA1     5     1.50100   156.90151   136.65142
    6     5 S   HC   _HA1     6     1.09575   105.23749    88.02045
    7     5 S   CO3  _C1_     7     1.53828   112.53062   -32.16254
    8     7 S   O2Z  _O11     8     1.26365   115.02923   -41.47005
    9     7 S   O2Z  _O12     9     1.26264   115.03371   137.93433
   10     5 S   CT   _CB1    10     1.53149   107.43673  -154.03061
   11    10 S   HC   HB11    11     1.09811   109.47304   -50.88093
   12    10 S   HC   HB12    12     1.09816   110.39362    65.80342
   13    10 S   CT   _CG1    13     1.52873   112.44691  -171.98413
   14    13 S   HC   HG11    14     1.09595   110.15205   -63.36066
   15    13 S   HC   HG12    15     1.09654   110.04436    55.76608
   16    13 S   C    _CD1    16     1.51783   112.75983   176.52453
   17    16 S   O    _OE1    17     1.22669   123.43596    -2.44232
   18    16 S   N    _N2_    18     1.38471   111.19291   177.40565
   19    18 S   H    _HN2    19     1.01598   118.58862     2.48049
   20    18 S   CT1  _CA2    20     1.46169   124.11492  -176.87519
   21    20 S   HC   _HA2    21     1.09737   109.35769   -15.77199
   22    20 S   C    _C2_    22     1.53402   107.98427  -131.27544
   23    22 S   O    _O2_    23     1.22984   122.59099  -143.31817
   24    20 S   CT   _CB2    32     1.53404   110.96853   106.49776
   25    24 S   HC   HB21    33     1.09518   109.80255    49.39064
   26    24 S   HC   HB22    34     1.09472   110.66049   168.70690
   27    22 S   N    _N3_    24     1.38590   113.18866    44.07675
   28    27 S   H    _HN3    25     1.01525   118.88908    -1.11540
   29    24 S   S    _SG2    35     1.83039   111.33084   -72.04996
   30    27 S   CT   _CA3    26     1.45400   123.27490   175.17525
   31    30 S   HC   HA31    27     1.09543   108.96550    28.68322
   32    30 S   HC   HA32    28     1.09489   107.15678   145.59021
   33    29 S   CT   _C15    36     1.84584   100.20108   157.01189
   34    33 S   HC   _H4_    37     1.09194   102.82262   -61.15462
   35    30 S   CO3  _C3_    29     1.52924   113.41193   -94.61926
   36    35 S   O2Z  _O31    30     1.26378   115.54839   -41.50211
   37    35 S   O2Z  _O32    31     1.26384   114.87214   139.50851
   38    33 S   CA   _C16    38     1.53151   111.21401  -178.38602
   39    33 S   CM   _C14    67     1.51262   110.71529    57.08847
   40    39 S   HC   _H10    68     1.09150   115.51813    54.73010
   41    38 S   CA   _C17    39     1.41257   119.42366   -57.59824
   42    41 S   HA   _H11    40     1.08825   120.33435     0.42336
   43    39 S   CMA  _C13    69     1.35637   126.69316  -125.08844
   44    43 S   OM   _O40    70     1.26754   123.23599   179.87646
   45    41 S   CA   _C18    41     1.39410   121.57495  -179.48680
   46    45 S   HA   _H12    42     1.08598   119.38222  -179.63096
   47    43 S   OS   _O35    71     1.41641   111.35621    -0.58283
   48    45 S   CA   _C19    43     1.38878   119.51134     0.74019
   49    47 S   CT   _C11    72     1.43568   117.83634   171.74893
   50    49 S   HC   _H3_    73     1.09615   111.99536   -34.06750
   51    48 S   CA   _C20    44     1.39555   120.43508     0.23903
   52    48 S   OH   _O39    65     1.36852   120.20039   179.72876
   53    52 S   HO   _H21    66     0.97196   108.72002     0.10468
   54    49 S   CO3  _C12    74     1.53981   109.21590    90.12459
   55    54 S   O2Z  _O34    75     1.26522   116.26469    42.49160
   56    54 S   O2Z  _O33    76     1.26574   114.62637  -139.33236
   57    49 S   CT   _C10    77     1.53611   108.60021  -155.90177
   58    57 S   HC   _H8_    78     1.09729   109.38069   -56.97454
   59    57 S   HC   _H9_    79     1.09802   110.34327  -173.52861
   60    38 S   CA   _C21    45     1.41810   122.10931   124.19057
   61    51 S   OH   _O38    63     1.37284   116.93092   178.67101
   62    61 S   HO   _H20    64     0.97054   109.69945  -173.41951
   63    57 S   CA   _C9_    80     1.51307   114.19251    64.81704
   64    60 S   CM   _C22    46     1.47138   120.25164    -0.74309
   65    64 S   HC   _H13    47     1.08564   115.40458    73.67594
   66    63 S   CA   _C4_    81     1.40252   121.23682    56.72683
   67    66 S   HA   _H5_    82     1.08712   120.43384    -0.94667
   68    64 S   CM   _C23    48     1.34208   121.60706  -103.84659
   69    68 S   HC   _H14    49     1.08856   119.50862    -0.22029
   70    66 S   CA   _C5_    83     1.39689   120.69202   178.98297
   71    70 S   HA   _H6_    84     1.08622   119.34360   179.32973
   72    68 S   CA   _C24    50     1.47203   124.75724   177.98278
   73    70 S   CA   _C6_    85     1.39271   119.70600    -0.69521
   74    72 S   CA   _C25    51     1.40403   118.35340  -157.67122
   75    74 S   HA   _H15    52     1.08827   120.55929     0.68728
   76    73 S   CA   _C7_    86     1.39142   120.18405     0.11869
   77    73 S   OH   _O42    91     1.36683   120.54891   179.79252
   78    77 S   HO   _H23    92     0.97240   108.59983    -2.74310
   79    74 S   CA   _C26    53     1.39735   120.95134  -179.87180
   80    79 S   HA   _H16    54     1.08647   119.25347  -179.52276
   81    63 S   CA   _C8_    87     1.40312   119.87354  -125.20630
   82    81 S   HA   _H7_    88     1.08531   119.83239     1.34100
   83    76 S   OH   _O41    89     1.36734   119.29155   179.63955
   84    83 S   HO   _H22    90     0.97299   108.96992   179.40851
   85    79 S   CA   _C27    55     1.39193   119.68732     0.33102
   86    85 S   CA   _C28    56     1.39158   120.04468     0.35991
   87    85 S   OH   _O37    61     1.36671   120.48632  -179.60534
   88    87 S   HO   _H19    62     0.97225   108.65013     0.23239
   89    72 S   CA   _C29    57     1.40320   123.00058    23.81504
   90    89 S   HA   _H17    58     1.08720   120.63304    -0.22381
   91    86 S   OH   _O36    59     1.36790   119.34076  -179.83929
   92    91 S   HO   _H18    60     0.97264   108.65880   176.80034
  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
  13   6   2   1   1  14   7   3   8   4   6   2   7   3   9   7
  10   7   8   3   1   6   2   1   9   4   3   7   2   1   9   6
   3   8   4   8   3   7   3   9   7   8   4   6   3   1   7   3
   3   1   1   1   7   6   3   1   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    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    41    60    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    60    64    39    40    43    44    47  
   38    41    60    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    60    64    65    68    61    39    40    43  
   40    43    44    47    49    41    60  
   43    44    47  
   42    45    46    48    51    60    64    52  
   45    46    48    60  
   44    47    49    50    54    57  
   47    49  
   46    48    51    60    61    52    53  
   48    51    52  
   49    50    54    55    56    57    58    59    63  
   51    60    64    61    62    52    53  
   50    54    55    56    57    58    59    63    66    81  
   54    55    56    57    58    59    63  
   60    64    65    68    61    62    52    53  
   53    60    61  
    0  
   55    56    57    58    59    63  
   56    57  
   57  
   58    59    63    66    67    70    76    81    82  
   59    63    66    81  
   63    66    81  
   64    65    68    69    72    61    62  
   62    64  
    0  
   66    67    70    71    73    76    81    82    83  
   65    68    69    72    74    89  
   68    69    72  
   67    70    71    73    76    81    82    77  
   70    71    73    81  
   69    72    74    75    79    86    89    90  
   72    74    89  
   71    73    76    81    83    77    78  
   73    76    77  
   74    75    79    80    85    86    89    90    91  
   76    81    82    83    84    77    78  
   75    79    80    85    86    89    90    87  
   79    80    85    89  
   81    82    83    84    77    78  
   78    81    83  
    0  
   80    85    86    89    91    87    88  
   85    86    87  
   82    83    84  
   83  
   84  
    0  
   86    89    90    91    92    87    88  
   89    90    91    92    87    88  
   88    89    91  
    0  
   90    91    92  
   91  
   92  
    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   0.222500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    41   469.000  1.400
   38    60   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    60   469.000  1.400
   51    61   450.000  1.364
   60    64   320.000  1.460
   64    65   340.000  1.080
   64    68   549.000  1.340
   68    69   340.000  1.080
   68    72   320.000  1.460
   72    74   469.000  1.400
   72    89   469.000  1.400
   74    75   367.000  1.080
   74    79   469.000  1.400
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   469.000  1.400
   85    87   450.000  1.364
   86    89   469.000  1.400
   86    91   450.000  1.364
   89    90   367.000  1.080
   91    92   553.000  0.945
   87    88   553.000  0.945
   61    62   553.000  0.945
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    54   317.000  1.522
   49    57   268.000  1.529
   54    55   656.000  1.250
   54    56   656.000  1.250
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   317.000  1.510
   63    66   469.000  1.400
   63    81   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    76   469.000  1.400
   73    77   450.000  1.364
   76    81   469.000  1.400
   76    83   450.000  1.364
   81    82   367.000  1.080
   83    84   553.000  0.945
   77    78   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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    60    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    60    51    63.00000  120.00000
   38    60    64    60.00000  120.93500
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    60    63.00000  120.00000
   48    51    61    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    60    64    60.00000  120.93500
   51    61    62    35.00000  113.00000
   60    38    41    63.00000  120.00000
   60    64    65    40.00000  117.26300
   60    64    68    60.00000  123.20500
   64    68    69    35.00000  120.00000
   64    68    72    60.00000  123.20500
   68    64    65    35.00000  120.00000
   68    72    74    60.00000  120.93500
   68    72    89    60.00000  120.93500
   72    68    69    40.00000  117.26300
   72    74    75    35.00000  120.00000
   72    74    79    63.00000  120.00000
   72    89    86    63.00000  120.00000
   72    89    90    35.00000  120.00000
   74    79    80    35.00000  120.00000
   74    79    85    63.00000  120.00000
   79    74    75    35.00000  120.00000
   79    85    86    63.00000  120.00000
   79    85    87    70.00000  120.00000
   85    79    80    35.00000  120.00000
   85    86    89    63.00000  120.00000
   85    86    91    70.00000  120.00000
   85    87    88    35.00000  113.00000
   86    89    90    35.00000  120.00000
   86    91    92    35.00000  113.00000
   89    72    74    63.00000  120.00000
   91    86    89    70.00000  120.00000
   87    85    86    70.00000  120.00000
   61    51    60    70.00000  120.00000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    54    85.00000  109.63000
   47    49    57    50.00000  109.50000
   49    54    55    70.00000  117.00000
   49    54    56    70.00000  117.00000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    63    70.00000  112.17500
   54    49    50    35.00000  109.50000
   56    54    55    80.00000  126.00000
   57    49    50    37.50000  110.70000
   57    49    54    70.00000  109.69300
   57    63    66    70.00000  120.00000
   57    63    81    70.00000  120.00000
   59    57    58    33.00000  107.80000
   63    57    58    35.00000  109.50000
   63    57    59    35.00000  109.50000
   63    66    67    35.00000  120.00000
   63    66    70    63.00000  120.00000
   63    81    76    63.00000  120.00000
   63    81    82    35.00000  120.00000
   66    70    71    35.00000  120.00000
   66    70    73    63.00000  120.00000
   70    66    67    35.00000  120.00000
   70    73    76    63.00000  120.00000
   70    73    77    70.00000  120.00000
   73    70    71    35.00000  120.00000
   73    76    81    63.00000  120.00000
   73    76    83    70.00000  120.00000
   73    77    78    35.00000  113.00000
   76    81    82    35.00000  120.00000
   76    83    84    35.00000  113.00000
   81    63    66    63.00000  120.00000
   83    76    81    70.00000  120.00000
   77    73    76    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    60  -0.16000  1.0 1.0
   29    33    38    60  -0.03200 -1.0 2.0
   29    33    38    60   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    60    51   3.62500 -1.0 2.0
   33    38    60    64   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    60   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   38    60    64    65   0.56550  1.0 3.0
   38    60    64    68   0.15800  1.0 1.0
   38    60    64    68   1.85350 -1.0 2.0
   38    60    64    68  -0.48700  1.0 3.0
   41    38    60    51   3.62500 -1.0 2.0
   41    38    60    64   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    60   3.62500 -1.0 2.0
   45    48    51    61   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -60    38   3.62500 -1.0 2.0
   48    51    60    64   3.62500 -1.0 2.0
   48    51    61    62   0.84100 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   51    60    64    65   0.56550  1.0 3.0
   51    60    64    68   0.15800  1.0 1.0
   51    60    64    68   1.85350 -1.0 2.0
   51    60    64    68  -0.48700  1.0 3.0
   60    38    41    42   3.62500 -1.0 2.0
   60    38   -41    45   3.62500 -1.0 2.0
   60    51    61    62   0.84100 -1.0 2.0
   60    64    68    69   7.00000 -1.0 2.0
   60    64    68    72   7.00000 -1.0 2.0
   64    68    72    74   0.15800  1.0 1.0
   64    68    72    74   1.85350 -1.0 2.0
   64    68    72    74  -0.48700  1.0 3.0
   64    68    72    89   0.15800  1.0 1.0
   64    68    72    89   1.85350 -1.0 2.0
   64    68    72    89  -0.48700  1.0 3.0
   65    64    68    69   7.00000 -1.0 2.0
   65    64    68    72   7.00000 -1.0 2.0
   68    72    74    75   3.62500 -1.0 2.0
   68    72    74    79   3.62500 -1.0 2.0
   68    72    89    86   3.62500 -1.0 2.0
   68    72    89    90   3.62500 -1.0 2.0
   69    68    72    74   0.56550  1.0 3.0
   69    68    72    89   0.56550  1.0 3.0
   72    74    79    80   3.62500 -1.0 2.0
   72    74    79    85   3.62500 -1.0 2.0
   74    72    89    86   3.62500 -1.0 2.0
   74    72    89    90   3.62500 -1.0 2.0
   74    79   -85    86   3.62500 -1.0 2.0
   74    79    85    87   3.62500 -1.0 2.0
   75    74    79    80   3.62500 -1.0 2.0
   75    74    79    85   3.62500 -1.0 2.0
   79    85    86    89   3.62500 -1.0 2.0
   79    85    86    91   3.62500 -1.0 2.0
   79    85    87    88   0.84100 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   80    79    85    87   3.62500 -1.0 2.0
   85    86   -89    72   3.62500 -1.0 2.0
   85    86    89    90   3.62500 -1.0 2.0
   85    86    91    92   0.84100 -1.0 2.0
   86    85    87    88   0.84100 -1.0 2.0
   89    72    74    75   3.62500 -1.0 2.0
   89    72   -74    79   3.62500 -1.0 2.0
   89    86    91    92   0.84100 -1.0 2.0
   91    86    89    72   3.62500 -1.0 2.0
   91    86    89    90   3.62500 -1.0 2.0
   87    85    86    89   3.62500 -1.0 2.0
   87    85    86    91   3.62500 -1.0 2.0
   61    51    60    38   3.62500 -1.0 2.0
   61    51    60    64   3.62500 -1.0 2.0
   52    48    51    60   3.62500 -1.0 2.0
   52    48    51    61   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    60   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.48150  1.0 1.0
   43    47    49    54   0.09250 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    57  -0.46850  1.0 1.0
   43    47    49    57   0.09300 -1.0 2.0
   43    47    49    57  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.30150 -1.0 2.0
   47    49    54    56   0.30150 -1.0 2.0
   47    49    57    58   0.23400  1.0 3.0
   47    49    57    59   0.23400  1.0 3.0
   47    49    57    63  -0.64350  1.0 1.0
   47    49    57    63  -0.04200 -1.0 2.0
   47    49    57    63   0.19800  1.0 3.0
   49    57    63    66   0.04150 -1.0 2.0
   49    57    63    81   0.04150 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    63   0.43200  1.0 3.0
   54    49    57    58  -0.11250  1.0 3.0
   54    49    57    59  -0.11250  1.0 3.0
   54    49    57    63  -2.95950  1.0 1.0
   54    49    57    63   0.02300  1.0 3.0
   57    49    54    55   0.41150 -1.0 2.0
   57    49    54    56   0.41150 -1.0 2.0
   57    63    66    67   3.62500 -1.0 2.0
   57    63    66    70   3.62500 -1.0 2.0
   57    63    81    76   3.62500 -1.0 2.0
   57    63    81    82   3.62500 -1.0 2.0
   58    57    63    66   0.00000  1.0 1.0
   58    57    63    81   0.00000  1.0 1.0
   59    57    63    66   0.00000  1.0 1.0
   59    57    63    81   0.00000  1.0 1.0
   63    66    70    71   3.62500 -1.0 2.0
   63    66    70    73   3.62500 -1.0 2.0
   66    63    81    76   3.62500 -1.0 2.0
   66    63    81    82   3.62500 -1.0 2.0
   66    70   -73    76   3.62500 -1.0 2.0
   66    70    73    77   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    73   3.62500 -1.0 2.0
   70    73    76    81   3.62500 -1.0 2.0
   70    73    76    83   3.62500 -1.0 2.0
   70    73    77    78   0.84100 -1.0 2.0
   71    70    73    76   3.62500 -1.0 2.0
   71    70    73    77   3.62500 -1.0 2.0
   73    76   -81    63   3.62500 -1.0 2.0
   73    76    81    82   3.62500 -1.0 2.0
   73    76    83    84   0.84100 -1.0 2.0
   76    73    77    78   0.84100 -1.0 2.0
   81    63    66    67   3.62500 -1.0 2.0
   81    63   -66    70   3.62500 -1.0 2.0
   81    76    83    84   0.84100 -1.0 2.0
   83    76    81    63   3.62500 -1.0 2.0
   83    76    81    82   3.62500 -1.0 2.0
   77    73    76    81   3.62500 -1.0 2.0
   77    73    76    83   3.62500 -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
   41    60    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   60    61    51    48   4.00000 -1.0 2.0
   51    64    60    38   4.00000 -1.0 2.0
   60    65    64    68  15.00000 -1.0 2.0
   72    69    68    64  15.00000 -1.0 2.0
   74    89    72    68   4.00000 -1.0 2.0
   79    75    74    72   1.10000 -1.0 2.0
   85    80    79    74   1.10000 -1.0 2.0
   86    87    85    79   4.00000 -1.0 2.0
   89    91    86    85   4.00000 -1.0 2.0
   86    90    89    72   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   55    49    54    56  10.50000 -1.0 2.0
   66    81    63    57   4.00000 -1.0 2.0
   70    67    66    63   1.10000 -1.0 2.0
   73    71    70    66   1.10000 -1.0 2.0
   76    77    73    70   4.00000 -1.0 2.0
   81    83    76    73   4.00000 -1.0 2.0
   76    82    81    63   1.10000 -1.0 2.0
END
