* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    142    226     423
    1     0 S   NP   _N1_     1    28.96686    92.68494   -23.25994
    2     1 S   H    _HN1     2     1.02860    98.17001    19.13120
    3     1 S   H    _H1_     3     1.02970    19.03308   139.41160
    4     1 S   H    _H2_     4     1.02792    95.80558   -90.28954
    5     1 S   CT   _CA1     5     1.50541   128.91715   145.09129
    6     5 S   HC   _HA1     6     1.09683   104.64439    61.56269
    7     5 S   CO3  _C1_     7     1.54439   110.84179   -54.30327
    8     7 S   O2Z  _O11     8     1.26081   116.74666  -119.86819
    9     7 S   O2Z  _O12     9     1.26556   113.72144    59.11843
   10     5 S   CT   _CB1    10     1.53064   106.99847   177.64515
   11    10 S   HC   HB11    11     1.09836   109.95715   -42.54628
   12    10 S   HC   HB12    12     1.09793   110.10182    74.05409
   13    10 S   CT   _CG1    13     1.53082   112.48964  -163.23561
   14    13 S   HC   HG11    14     1.09487   110.86584   -55.09848
   15    13 S   HC   HG12    15     1.09637   110.01422    63.91264
   16    13 S   C    _CD1    16     1.51769   111.88241  -176.11491
   17    16 S   O    _OE1    17     1.22750   123.11989   -12.16243
   18    16 S   N    _N2_    18     1.38563   111.80665   168.43091
   19    18 S   H    _HN2    19     1.01586   119.15605     1.83419
   20    18 S   CT1  _CA2    20     1.46245   123.27699  -176.84663
   21    20 S   HC   _HA2    21     1.09722   109.45033    -8.70211
   22    20 S   C    _C2_    22     1.53382   108.62891  -124.61877
   23    22 S   O    _O2_    23     1.23024   122.19055  -146.71086
   24    20 S   CT   _CB2    32     1.53382   111.05946   113.11725
   25    24 S   HC   HB21    33     1.09481   109.38167    58.30374
   26    24 S   HC   HB22    34     1.09515   110.72671   176.51126
   27    22 S   N    _N3_    24     1.38496   113.43892    40.70725
   28    27 S   H    _HN3    25     1.01519   118.90248    -0.69097
   29    24 S   S    _SG2    35     1.83002   111.53119   -63.97809
   30    27 S   CT   _CA3    26     1.45454   123.49371   175.12729
   31    30 S   HC   HA31    27     1.09520   109.29237    23.38776
   32    30 S   HC   HA32    28     1.09497   107.10872   140.39490
   33    29 S   CT   _C18    36     1.84024    99.84111   149.69464
   34    33 S   HC   _H5_    37     1.09609   104.61084    49.87472
   35    30 S   CO3  _C3_    29     1.52918   113.06989  -100.13400
   36    35 S   O2Z  _O31    30     1.26405   115.38127   -45.07944
   37    35 S   O2Z  _O32    31     1.26352   114.99832   135.84702
   38    33 S   CA   _C19    38     1.52165   113.17732   -68.44398
   39    33 S   CM   _C17    51     1.51252   108.59007   167.35624
   40    39 S   HC   _H11    52     1.09126   115.75581    58.97347
   41    38 S   CA   _C20    39     1.40627   118.89881   130.54733
   42    41 S   HA   _H12    40     1.08799   120.18269    -0.22900
   43    39 S   CMA  _C16    53     1.35509   126.51044  -122.42587
   44    43 S   OM   _O40    54     1.26762   126.10616     2.13808
   45    41 S   CA   _C21    41     1.39606   120.99848   179.62570
   46    45 S   HA   _H13    42     1.08602   119.34031   179.81655
   47    43 S   OS   _O37    55     1.41982   109.98303  -179.84298
   48    45 S   CA   _C22    43     1.39206   119.63788    -0.30901
   49    47 S   CT   _C14    56     1.44366   114.99824   126.93997
   50    49 S   HC   _H4_    57     1.09878   110.45462    41.28096
   51    48 S   CA   _C23    44     1.39230   120.19195    -0.39217
   52    48 S   OH   _O39    49     1.36749   120.40121   179.76427
   53    52 S   HO   _H16    50     0.97188   108.66354     1.15352
   54    49 S   CO3  _C15    58     1.54971   107.54231   153.23962
   55    54 S   O2Z  _O36    59     1.26484   116.12996   148.76477
   56    54 S   O2Z  _O35    60     1.26634   115.62279   -34.02248
   57    49 S   CT   _C13    61     1.53680   110.25022   -79.96496
   58    57 S   HC   _H3_    62     1.09820   109.76028    48.46515
   59    38 S   CA   _C24    45     1.40658   122.53114   -51.11758
   60    59 S   HA   _H14    46     1.08735   120.16370     0.10468
   61    51 S   OH   _O38    47     1.36721   118.99692  -179.77794
   62    61 S   HO   _H15    48     0.97611   109.44236  -179.21366
   63    57 S   CO3  _C25    63     1.54487   117.62608   -69.89809
   64    63 S   O2Z  _O42    64     1.26286   116.51115    19.39806
   65    63 S   O2Z  _O41    65     1.26735   114.94924  -162.79162
   66    57 S   OS   _O34    66     1.45073   109.20193   167.66851
   67    66 S   CO4  _C12    67     1.35703   117.89200   -88.75992
   68    67 S   O    _O33    68     1.22016   127.55630    -0.57471
   69    67 S   CM   _C11    69     1.48042   107.22284   179.43977
   70    69 S   HC   _H10    70     1.08431   117.55284    -0.55813
   71    69 S   CM   _C10    71     1.34072   119.63634  -179.85598
   72    71 S   HC   _H9_    72     1.08794   120.07930     0.81469
   73    71 S   CA   _C9_    73     1.47274   124.46174   179.52030
   74    73 S   CA   _C4_    74     1.40382   122.69078    30.34947
   75    74 S   HA   _H6_    75     1.08750   121.00362    -0.77934
   76    74 S   CA   _C5_    76     1.39814   120.78204   178.65448
   77    76 S   HA   _H7_    77     1.08632   119.29251   179.79729
   78    76 S   CA   _C6_    78     1.39244   119.77871    -0.49614
   79    78 S   CA   _C7_    79     1.39149   120.06686    -0.22985
   80    78 S   OH   _O44    84     1.36683   120.52570  -179.97202
   81    80 S   HO   _H18    85     0.97206   108.75930    -0.17017
   82    73 S   CA   _C8_    80     1.40384   118.54904  -152.20786
   83    82 S   HA   _H8_    81     1.08796   120.00321     1.62654
   84    79 S   OH   _O43    82     1.36761   119.26625  -179.69545
   85    84 S   HO   _H17    83     0.97200   108.80210  -179.97202
  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  12   7   3   8   4   6   2   7   3   9   7
  11   7   6   3   1   6   2   1   8   5   3   1   1   1   4   2
   1   5   6   3   6   3   8   3   9   8   4   7   3   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    59    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    59    60    39    40    43    44    47  
   38    41    59    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    59    60    61    39    40    43  
   40    43    44    47    49    41    59  
   43    44    47  
   42    45    46    48    51    59    60    52  
   45    46    48    59  
   44    47    49    50    54    57  
   47    49  
   46    48    51    59    61    52    53  
   48    51    52  
   49    50    54    55    56    57    58    63    66  
   51    59    60    61    62    52    53  
   50    54    55    56    57    58    63    64    65    66    67  
   54    55    56    57    58    63    66  
   59    60    61    62    52    53  
   53    59    61  
    0  
   55    56    57    58    63    66  
   56    57  
   57  
   58    63    64    65    66    67    68    69  
   63    64    65    66    67  
   60    61    62  
   61  
   62  
    0  
   64    65    66    67  
   65    66  
   66  
   67    68    69    70    71  
   68    69    70    71    72    73  
   69    70    71  
   70    71    72    73    74    82  
   71    72    73  
   72    73    74    75    76    79    82    83  
   73    74    82  
   74    75    76    77    78    79    82    83    84  
   75    76    77    78    79    82    83    80  
   76    77    78    82  
   77    78    79    82    84    80    81  
   78    79    80  
   79    82    83    84    85    80    81  
   82    83    84    85    80    81  
   81    82    84  
    0  
   83    84    85  
   84  
   85  
    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   1.7660   1.5600   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.000000   2.5000   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   85   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    59   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    59   469.000  1.400
   51    61   450.000  1.364
   59    60   367.000  1.080
   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    63   317.000  1.522
   57    66   320.000  1.410
   63    64   656.000  1.250
   63    65   656.000  1.250
   66    67   214.000  1.327
   67    68   570.000  1.229
   67    69   320.000  1.462
   69    70   340.000  1.080
   69    71   549.000  1.340
   71    72   340.000  1.080
   71    73   320.000  1.460
   73    74   469.000  1.400
   73    82   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   469.000  1.400
   78    80   450.000  1.364
   79    82   469.000  1.400
   79    84   450.000  1.364
   82    83   367.000  1.080
   84    85   553.000  0.945
   80    81   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    59    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    59    51    63.00000  120.00000
   38    59    60    35.00000  120.00000
   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    59    63.00000  120.00000
   48    51    61    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    59    60    35.00000  120.00000
   51    61    62    35.00000  113.00000
   59    38    41    63.00000  120.00000
   61    51    59    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    63    70.00000  109.69300
   49    57    66    50.00000  109.50000
   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    64    70.00000  117.00000
   57    63    65    70.00000  117.00000
   57    66    67    83.00000  116.90000
   63    57    58    35.00000  109.50000
   65    63    64    80.00000  126.00000
   66    57    58    35.00000  109.50000
   66    57    63    85.00000  109.63000
   66    67    68    83.00000  123.40000
   66    67    69    90.00000  111.29400
   67    69    70    40.00000  117.72500
   67    69    71    65.00000  118.96000
   69    67    68    80.00000  123.72100
   69    71    72    35.00000  120.00000
   69    71    73    60.00000  123.20500
   71    69    70    35.00000  120.00000
   71    73    74    60.00000  120.93500
   71    73    82    60.00000  120.93500
   73    71    72    40.00000  117.26300
   73    74    75    35.00000  120.00000
   73    74    76    63.00000  120.00000
   73    82    79    63.00000  120.00000
   73    82    83    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    63.00000  120.00000
   76    78    80    70.00000  120.00000
   78    76    77    35.00000  120.00000
   78    79    82    63.00000  120.00000
   78    79    84    70.00000  120.00000
   78    80    81    35.00000  113.00000
   79    82    83    35.00000  120.00000
   79    84    85    35.00000  113.00000
   82    73    74    63.00000  120.00000
   84    79    82    70.00000  120.00000
   80    78    79    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    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   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    59    51   3.62500 -1.0 2.0
   33    38    59    60   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    59   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
   41    38    59    51   3.62500 -1.0 2.0
   41    38    59    60   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    59   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   -59    38   3.62500 -1.0 2.0
   48    51    59    60   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
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    45   3.62500 -1.0 2.0
   59    51    61    62   0.84100 -1.0 2.0
   61    51    59    38   3.62500 -1.0 2.0
   61    51    59    60   3.62500 -1.0 2.0
   52    48    51    59   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    59   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    63  -3.35100  1.0 1.0
   47    49    57    63  -0.37050 -1.0 2.0
   47    49    57    63   0.22400  1.0 3.0
   47    49    57    66   1.11900  1.0 1.0
   47    49    57    66  -1.16350 -1.0 2.0
   47    49    57    66  -0.34150  1.0 3.0
   49    57    63    64   0.41150 -1.0 2.0
   49    57    63    65   0.41150 -1.0 2.0
   49    57    66    67  -0.25900  1.0 1.0
   49    57    66    67  -0.47000 -1.0 2.0
   49    57    66    67   0.11750  1.0 3.0
   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    63  -0.11250  1.0 3.0
   50    49    57    66   0.23400  1.0 3.0
   54    49    57    58  -0.11250  1.0 3.0
   54    49    57    63  -0.30950  1.0 1.0
   54    49    57    63   1.11150 -1.0 2.0
   54    49    57    63   0.40350  1.0 3.0
   54    49    57    66  -3.35100  1.0 1.0
   54    49    57    66  -0.37050 -1.0 2.0
   54    49    57    66   0.22400  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    66    67    68   3.00000 -1.0 2.0
   57    66    67    69   2.00000 -1.0 2.0
   58    57    63    64   0.00000  1.0 1.0
   58    57    63    65   0.00000  1.0 1.0
   58    57    66    67   0.08050  1.0 3.0
   63    57    66    67  -1.80650  1.0 1.0
   63    57    66    67   0.63900 -1.0 2.0
   63    57    66    67   0.03650  1.0 3.0
   66    57    63    64   0.30150 -1.0 2.0
   66    57    63    65   0.30150 -1.0 2.0
   66    67    69    70   1.63100 -1.0 2.0
   66    67    69    71  -0.56150  1.0 1.0
   66    67    69    71   2.19150 -1.0 2.0
   67    69    71    72   7.00000 -1.0 2.0
   67    69    71    73   7.00000 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   1.00000 -1.0 2.0
   69    71    73    74   0.15800  1.0 1.0
   69    71    73    74   1.85350 -1.0 2.0
   69    71    73    74  -0.48700  1.0 3.0
   69    71    73    82   0.15800  1.0 1.0
   69    71    73    82   1.85350 -1.0 2.0
   69    71    73    82  -0.48700  1.0 3.0
   70    69    71    72   7.00000 -1.0 2.0
   70    69    71    73   7.00000 -1.0 2.0
   71    73    74    75   3.62500 -1.0 2.0
   71    73    74    76   3.62500 -1.0 2.0
   71    73    82    79   3.62500 -1.0 2.0
   71    73    82    83   3.62500 -1.0 2.0
   72    71    73    74   0.56550  1.0 3.0
   72    71    73    82   0.56550  1.0 3.0
   73    74    76    77   3.62500 -1.0 2.0
   73    74    76    78   3.62500 -1.0 2.0
   74    73    82    79   3.62500 -1.0 2.0
   74    73    82    83   3.62500 -1.0 2.0
   74    76   -78    79   3.62500 -1.0 2.0
   74    76    78    80   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78    79    82   3.62500 -1.0 2.0
   76    78    79    84   3.62500 -1.0 2.0
   76    78    80    81   0.84100 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   78    79   -82    73   3.62500 -1.0 2.0
   78    79    82    83   3.62500 -1.0 2.0
   78    79    84    85   0.84100 -1.0 2.0
   79    78    80    81   0.84100 -1.0 2.0
   82    73    74    75   3.62500 -1.0 2.0
   82    73   -74    76   3.62500 -1.0 2.0
   82    79    84    85   0.84100 -1.0 2.0
   84    79    82    73   3.62500 -1.0 2.0
   84    79    82    83   3.62500 -1.0 2.0
   80    78    79    82   3.62500 -1.0 2.0
   80    78    79    84   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    59    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
   59    61    51    48   4.00000 -1.0 2.0
   51    60    59    38   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
   64    57    63    65  10.50000 -1.0 2.0
   66    69    67    68  10.50000 -1.0 2.0
   67    70    69    71  15.00000 -1.0 2.0
   73    72    71    69  15.00000 -1.0 2.0
   74    82    73    71   4.00000 -1.0 2.0
   76    75    74    73   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   79    80    78    76   4.00000 -1.0 2.0
   82    84    79    78   4.00000 -1.0 2.0
   79    83    82    73   1.10000 -1.0 2.0
END
