* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    155    249     465
    1     0 S   NP   _N1_     1    28.95696    94.76979   -19.66441
    2     1 S   H    _HN1     2     1.02956    99.24466    51.37179
    3     1 S   H    _H1_     3     1.02836    31.90882   158.70343
    4     1 S   H    _H2_     4     1.02779    81.69837   -56.02076
    5     1 S   CT   _CA1     5     1.50184   139.78556  -170.95063
    6     5 S   HC   _HA1     6     1.09565   105.17472    42.53950
    7     5 S   CO3  _C1_     7     1.53909   112.41919   -77.56611
    8     7 S   O2Z  _O11     8     1.26376   114.98644   -37.97015
    9     7 S   O2Z  _O12     9     1.26242   115.00917   141.07728
   10     5 S   CT   _CB1    10     1.53133   107.38614   160.57022
   11    10 S   HC   HB11    11     1.09809   109.48035   -47.43431
   12    10 S   HC   HB12    12     1.09829   110.33309    69.18451
   13    10 S   CT   _CG1    13     1.53014   112.70072  -168.55007
   14    13 S   HC   HG11    14     1.09435   110.28800   -59.57961
   15    13 S   HC   HG12    15     1.09625   110.21236    59.24211
   16    13 S   C    _CD1    16     1.51898   112.01598   178.95003
   17    16 S   O    _OE1    17     1.22750   122.91553   -22.71935
   18    16 S   N    _N2_    18     1.38550   111.97770   158.81295
   19    18 S   H    _HN2    19     1.01591   118.96388    -0.17246
   20    18 S   CT1  _CA2    20     1.46310   123.66928   180.00000
   21    20 S   HC   _HA2    21     1.09740   109.25250   -19.33958
   22    20 S   C    _C2_    22     1.53471   107.84094  -134.77004
   23    22 S   O    _O2_    23     1.22994   122.41510  -144.51552
   24    20 S   CT   _CB2    32     1.53509   111.57956   103.13890
   25    24 S   HC   HB21    33     1.09605   109.96231    50.02429
   26    24 S   HC   HB22    34     1.09497   110.69488   169.24437
   27    22 S   N    _N3_    24     1.38563   113.22797    42.77536
   28    27 S   H    _HN3    25     1.01536   118.92083    -0.38816
   29    24 S   S    _SG2    35     1.82578   111.99339   -71.35521
   30    27 S   CT   _CA3    26     1.45446   123.39489   175.14724
   31    30 S   HC   HA31    27     1.09527   109.16880    25.59102
   32    30 S   HC   HA32    28     1.09493   107.13304   142.59297
   33    29 S   CT   _C22    36     1.82538    98.90104   168.36883
   34    33 S   HC   _H24    37     1.09530   108.43486   -61.56950
   35    33 S   HC   _H25    38     1.09525   107.91057    55.45321
   36    30 S   CO3  _C3_    29     1.52934   113.18685   -97.83348
   37    36 S   O2Z  _O31    30     1.26397   115.44579   -43.29002
   38    36 S   O2Z  _O32    31     1.26360   114.95264   137.65478
   39    33 S   CT   _C20    39     1.53385   111.60192   176.07899
   40    39 S   HC   _H9_    40     1.09883   109.89338   -54.54650
   41    39 S   CO4  _C19    41     1.52160   111.57518    63.49868
   42    41 S   O    _O37    42     1.22500   123.26741  -113.66011
   43    39 S   CT   _C21    79     1.53239   110.68042  -173.43753
   44    43 S   HC   _H21    80     1.09511   112.14384   -67.22986
   45    43 S   HC   _H22    81     1.09513   110.46504    53.86469
   46    41 S   OS   _O36    43     1.36247   110.94484    65.58826
   47    43 S   OH   _O38    82     1.42275   109.45557   172.34765
   48    47 S   HO   _H23    83     0.97262   107.12091  -179.90309
   49    46 S   CT   _C7_    44     1.44735   117.83447  -179.69290
   50    49 S   HC   _H3_    45     1.09756   109.51923   -24.73699
   51    49 S   CT   _C6_    46     1.53591   108.49526    91.81258
   52    51 S   HC   _H12    47     1.09825   108.72218   -52.92723
   53    51 S   HC   _H13    48     1.09746   109.11067  -167.54183
   54    49 S   CT   _C8_    62     1.54053   109.25984  -142.92607
   55    54 S   HC   _H4_    63     1.09869   109.43675  -177.04256
   56    51 S   CM   _C5_    49     1.51630   114.92744    70.16876
   57    54 S   CM   _C17    64     1.49757   115.25575    62.33682
   58    56 S   CT   _C11    50     1.52049   114.91105    75.20185
   59    58 S   HC   _H7_    51     1.09911   106.67812    33.12870
   60    57 S   CO4  _C16    65     1.47574   108.64135  -147.02197
   61    60 S   O    _O35    66     1.21729   127.21421  -169.22590
   62    57 S   CM   _C18    68     1.33643   130.44117    31.43276
   63    62 S   HC   _H19    69     1.08431   121.51959     1.09575
   64    62 S   HC   _H20    70     1.08546   121.62619  -179.01305
   65    56 S   CM   _C4_    76     1.34241   119.86836  -108.04038
   66    65 S   HC   _H10    77     1.08183   122.86570  -177.90987
   67    65 S   HC   _H11    78     1.08405   120.88706     1.99331
   68    58 S   CT   _C12    52     1.53735   117.16951   151.89281
   69    68 S   HC   _H14    53     1.09886   109.57002  -150.56475
   70    68 S   HC   _H15    54     1.09537   113.22407   -32.40312
   71    82 S   OS   _O34    67     1.44653   108.09743   160.44626
   72    68 S   CT   _C13    55     1.52521   106.13667    90.52694
   73    72 S   HC   _H8_    56     1.09460   111.70445   -96.42798
   74    72 S   CM   _C14    57     1.50554   104.34442    23.22393
   75    72 S   OH   _O33    74     1.41856   110.29255   142.21395
   76    75 S   HO   _H18    75     0.97238   107.31803    59.11902
   77    58 S   CT   _C10    58     1.54571   114.35254   -87.38243
   78    77 S   HC   _H6_    59     1.10094   107.48995   154.13630
   79    74 S   CM   _C15    71     1.34050   122.57359  -178.84614
   80    79 S   HC   _H16    72     1.08547   120.71438    -1.60193
   81    79 S   HC   _H17    73     1.08326   122.24449   178.98876
   82    77 S   CT   _C9_    60     1.53962   116.03093    32.72321
   83    82 S   HC   _H5_    61     1.09819   110.28108   -83.43735
  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   7   5   4   3
  11   5   4   2   1   1  10   7  10   3   5   3   2  10   1   1
  16   8  14   5   4  15   7  13   9  17   9   8   3   4   1   1
   4   1   1  11   6   5   5  10   5   9   3   1   6   3   3   1
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    43    44    45    47  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    46    49    43    44    45    47    48  
   41    42    46    43    44    45    47  
   42    46    49    50    51    54    43    44    45    47  
   46    49    43  
   44    45    47    48    46  
   45    47    48  
   47    48  
   49    50    51    52    53    56    82    54    55    57  
   48  
    0  
   50    51    52    53    56    58    77    82    83    54    55    57    60    71    62    65  
   51    52    53    56    82    54    55    57  
   52    53    56    58    59    68    77    82    54    55    57    65    66    67  
   53    56    58    54    65  
   56    58    54    65  
   55    57    60    61    71    62    63    64    56    58    74    77    78    82    83  
   57    60    71    62    77    82    83  
   58    59    68    69    70    72    74    77    78    82    65    66    67  
   60    61    71    62    63    64    77    82    83  
   59    68    69    70    72    73    74    77    78    82    83    71    79    75    65    66    67  
   68    69    70    72    74    77    78    82    65  
   61    71    62    63    64    77    82    83  
   71    62    82  
   63    64    71    82  
   64  
    0  
   66    67    68    77  
   67  
    0  
   69    70    72    73    74    77    78    82    79    75    76  
   70    72    73    74    77    75  
   72    73    74    77    75  
   74    77    78    82    83  
   73    74    77    78    82    79    80    81    75    76  
   74    77    79    75    76  
   77    78    82    83    79    80    81    75    76  
   76    77    79  
    0  
   78    82    83    79    80    81  
   82    83    79  
   80    81    82  
   81  
    0  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    46   214.000  1.327
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   317.000  1.510
   56    58   317.000  1.510
   56    65   549.000  1.340
   58    59   340.000  1.090
   58    68   268.000  1.529
   58    77   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   317.000  1.510
   72    75   320.000  1.410
   74    77   317.000  1.510
   74    79   549.000  1.340
   77    78   340.000  1.090
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    54   268.000  1.529
   82    71   320.000  1.410
   54    55   340.000  1.090
   54    57   317.000  1.510
   57    60   320.000  1.462
   57    62   549.000  1.340
   60    61   570.000  1.229
   60    71   214.000  1.327
   62    63   340.000  1.080
   62    64   340.000  1.080
   79    80   340.000  1.080
   79    81   340.000  1.080
   75    76   553.000  0.945
   65    66   340.000  1.080
   65    67   340.000  1.080
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   320.000  1.410
   47    48   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    46    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    47    50.00000  109.50000
   41    39    40    35.00000  109.50000
   41    46    49    83.00000  116.90000
   46    41    42    83.00000  123.40000
   46    49    50    35.00000  109.50000
   46    49    51    50.00000  109.50000
   46    49    54    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    56    70.00000  112.02700
   49    54    82    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    57    70.00000  112.02700
   51    49    50    37.50000  110.70000
   51    56    58    65.00000  117.92700
   51    56    65    70.00000  124.00000
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    35.00000  109.50000
   56    58    59    35.00000  109.50000
   56    58    68    70.00000  112.02700
   56    58    77    70.00000  112.02700
   56    65    66    35.00000  120.00000
   56    65    67    35.00000  120.00000
   58    68    69    37.50000  110.70000
   58    68    70    37.50000  110.70000
   58    68    72    58.35000  112.70000
   58    77    74    70.00000  112.02700
   58    77    78    37.50000  110.70000
   58    77    82    58.35000  112.70000
   68    58    59    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    74    70.00000  112.02700
   68    72    75    50.00000  109.50000
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    74    77    65.00000  117.92700
   72    74    79    70.00000  124.00000
   72    75    76    55.00000  108.50000
   74    72    73    35.00000  109.50000
   74    77    78    35.00000  109.50000
   74    77    82    70.00000  112.02700
   74    79    80    35.00000  120.00000
   74    79    81    35.00000  120.00000
   77    58    59    37.50000  110.70000
   77    58    68    58.35000  112.70000
   77    82    83    37.50000  110.70000
   77    82    54    58.35000  112.70000
   77    82    71    50.00000  109.50000
   82    77    78    37.50000  110.70000
   82    54    55    37.50000  110.70000
   82    54    57    70.00000  112.02700
   82    71    60    83.00000  116.90000
   54    49    50    37.50000  110.70000
   54    49    51    58.35000  112.70000
   54    82    83    37.50000  110.70000
   54    57    60    65.00000  116.34900
   54    57    62    70.00000  124.00000
   57    54    55    35.00000  109.50000
   57    60    61    80.00000  123.72100
   57    60    71    90.00000  111.29400
   57    62    63    35.00000  120.00000
   57    62    64    35.00000  120.00000
   71    82    83    35.00000  109.50000
   71    82    54    50.00000  109.50000
   71    60    61    83.00000  123.40000
   62    57    60    65.00000  118.96000
   64    62    63    35.00000  117.00000
   79    74    77    70.00000  124.00000
   81    79    80    35.00000  117.00000
   75    72    73    35.00000  109.50000
   75    72    74    90.00000  110.39200
   65    56    58    70.00000  124.00000
   67    65    66    35.00000  117.00000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   47    43    44    35.00000  109.50000
   47    43    45    35.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    46   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    47   0.86500  1.0 1.0
   33    39    43    47  -0.17500 -1.0 2.0
   33    39    43    47   0.20800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    46    49   1.63150  1.0 1.0
   39    41    46    49   2.92000 -1.0 2.0
   39    43    47    48  -0.11600  1.0 1.0
   39    43    47    48  -0.09450 -1.0 2.0
   39    43    47    48   0.21250  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    46   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    47   0.23400  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    47  -0.09450  1.0 1.0
   41    39    43    47  -1.12950 -1.0 2.0
   41    39    43    47   0.54000  1.0 3.0
   41    46    49    50   0.08050  1.0 3.0
   41    46    49    51  -0.25900  1.0 1.0
   41    46    49    51  -0.47000 -1.0 2.0
   41    46    49    51   0.11750  1.0 3.0
   41    46    49    54  -0.25900  1.0 1.0
   41    46    49    54  -0.47000 -1.0 2.0
   41    46    49    54   0.11750  1.0 3.0
   42    41    46    49   3.00000 -1.0 2.0
   46    49    51    52   0.23400  1.0 3.0
   46    49    51    53   0.23400  1.0 3.0
   46    49    51    56   0.61850  1.0 1.0
   46    49    51    56  -0.22750 -1.0 2.0
   46    49    51    56   0.15300  1.0 3.0
   46    49    54    82   0.62750  1.0 1.0
   46    49    54    82  -0.30950 -1.0 2.0
   46    49    54    82   0.27300  1.0 3.0
   46    49    54    55   0.23400  1.0 3.0
   46    49    54    57   0.61850  1.0 1.0
   46    49    54    57  -0.22750 -1.0 2.0
   46    49    54    57   0.15300  1.0 3.0
   49    51    56    58   0.46850  1.0 1.0
   49    51    56    58   0.08550 -1.0 2.0
   49    51    56    58   0.09800  1.0 3.0
   49    51    56    65   0.09850  1.0 1.0
   49    51    56    65   0.15250 -1.0 2.0
   49    51    56    65  -0.50650  1.0 3.0
   49    54    57    60   0.09700  1.0 1.0
   49    54    57    60   0.15600 -1.0 2.0
   49    54    57    60  -0.50800  1.0 3.0
   49    54    57    62   0.09850  1.0 1.0
   49    54    57    62   0.15250 -1.0 2.0
   49    54    57    62  -0.50650  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    54    82   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    57   0.15000  1.0 3.0
   51    49    54    82   0.56750  1.0 1.0
   51    49    54    82  -0.07550 -1.0 2.0
   51    49    54    82   0.20000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    57   0.34400  1.0 1.0
   51    49    54    57   0.09450 -1.0 2.0
   51    49    54    57   0.11100  1.0 3.0
   51    56    58    59   0.34800  1.0 3.0
   51    56    58    68   0.46850  1.0 1.0
   51    56    58    68   0.08550 -1.0 2.0
   51    56    58    68   0.09800  1.0 3.0
   51    56    58    77   0.46850  1.0 1.0
   51    56    58    77   0.08550 -1.0 2.0
   51    56    58    77   0.09800  1.0 3.0
   51    56    65    66   7.00000 -1.0 2.0
   51    56    65    67   7.00000 -1.0 2.0
   52    51    56    58   0.34800  1.0 3.0
   52    51    56    65   0.00000  1.0 1.0
   53    51    56    58   0.34800  1.0 3.0
   53    51    56    65   0.00000  1.0 1.0
   56    58    68    69   0.15000  1.0 3.0
   56    58    68    70   0.15000  1.0 3.0
   56    58    68    72   0.34400  1.0 1.0
   56    58    68    72   0.09450 -1.0 2.0
   56    58    68    72   0.11100  1.0 3.0
   56    58    77    74   0.31000  1.0 1.0
   56    58    77    74   0.14700 -1.0 2.0
   56    58    77    74   0.07550  1.0 3.0
   56    58    77    78   0.15000  1.0 3.0
   56    58    77    82   0.34400  1.0 1.0
   56    58    77    82   0.09450 -1.0 2.0
   56    58    77    82   0.11100  1.0 3.0
   58    56    65    66   7.00000 -1.0 2.0
   58    56    65    67   7.00000 -1.0 2.0
   58    68    72    73   0.15000  1.0 3.0
   58    68   -72    74   0.34400  1.0 1.0
   58    68   -72    74   0.09450 -1.0 2.0
   58    68   -72    74   0.11100  1.0 3.0
   58    68    72    75   0.86500  1.0 1.0
   58    68    72    75  -0.17500 -1.0 2.0
   58    68    72    75   0.20800  1.0 3.0
   58    77    82    83   0.15000  1.0 3.0
   58    77    82    54   0.56750  1.0 1.0
   58    77    82    54  -0.07550 -1.0 2.0
   58    77    82    54   0.20000  1.0 3.0
   58    77    82    71   0.62750  1.0 1.0
   58    77    82    71  -0.30950 -1.0 2.0
   58    77    82    71   0.27300  1.0 3.0
   59    58    68    69   0.15000  1.0 3.0
   59    58    68    70   0.15000  1.0 3.0
   59    58    68    72   0.15000  1.0 3.0
   59    58    77    74   0.15000  1.0 3.0
   59    58    77    78   0.15000  1.0 3.0
   59    58    77    82   0.15000  1.0 3.0
   68    58   -77    74   0.34400  1.0 1.0
   68    58   -77    74   0.09450 -1.0 2.0
   68    58   -77    74   0.11100  1.0 3.0
   68    58    77    78   0.15000  1.0 3.0
   68    58    77    82   0.56750  1.0 1.0
   68    58    77    82  -0.07550 -1.0 2.0
   68    58    77    82   0.20000  1.0 3.0
   68    72   -74    77   0.46850  1.0 1.0
   68    72   -74    77   0.08550 -1.0 2.0
   68    72   -74    77   0.09800  1.0 3.0
   68    72    74    79   0.09850  1.0 1.0
   68    72    74    79   0.15250 -1.0 2.0
   68    72    74    79  -0.50650  1.0 3.0
   68    72    75    76  -0.11600  1.0 1.0
   68    72    75    76  -0.09450 -1.0 2.0
   68    72    75    76   0.21250  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    74   0.15000  1.0 3.0
   69    68    72    75   0.23400  1.0 3.0
   70    68    72    73   0.15000  1.0 3.0
   70    68    72    74   0.15000  1.0 3.0
   70    68    72    75   0.23400  1.0 3.0
   72    74   -77    58   0.46850  1.0 1.0
   72    74   -77    58   0.08550 -1.0 2.0
   72    74   -77    58   0.09800  1.0 3.0
   72    74    77    78   0.34800  1.0 3.0
   72    74    77    82   0.46850  1.0 1.0
   72    74    77    82   0.08550 -1.0 2.0
   72    74    77    82   0.09800  1.0 3.0
   72    74    79    80   7.00000 -1.0 2.0
   72    74    79    81   7.00000 -1.0 2.0
   73    72    74    77   0.34800  1.0 3.0
   73    72    74    79   0.00000  1.0 1.0
   73    72    75    76   0.19450  1.0 3.0
   74    72    75    76  -0.07800  1.0 1.0
   74    72    75    76  -0.21500 -1.0 2.0
   74    72    75    76  -0.03150  1.0 3.0
   74    77    82    83   0.15000  1.0 3.0
   74    77    82    54   0.34400  1.0 1.0
   74    77    82    54   0.09450 -1.0 2.0
   74    77    82    54   0.11100  1.0 3.0
   74    77    82    71   0.61850  1.0 1.0
   74    77    82    71  -0.22750 -1.0 2.0
   74    77    82    71   0.15300  1.0 3.0
   77    58    68    69   0.15000  1.0 3.0
   77    58    68    70   0.15000  1.0 3.0
   77    58   -68    72   0.56750  1.0 1.0
   77    58   -68    72  -0.07550 -1.0 2.0
   77    58   -68    72   0.20000  1.0 3.0
   77    74    79    80   7.00000 -1.0 2.0
   77    74    79    81   7.00000 -1.0 2.0
   77    82    54    49   0.56750  1.0 1.0
   77    82    54    49  -0.07550 -1.0 2.0
   77    82    54    49   0.20000  1.0 3.0
   77    82    54    55   0.15000  1.0 3.0
   77    82    54    57   0.34400  1.0 1.0
   77    82    54    57   0.09450 -1.0 2.0
   77    82    54    57   0.11100  1.0 3.0
   77    82    71    60  -0.25900  1.0 1.0
   77    82    71    60  -0.47000 -1.0 2.0
   77    82    71    60   0.11750  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    54   0.15000  1.0 3.0
   78    77    82    71   0.23400  1.0 3.0
   82    54   -57    60   0.09700  1.0 1.0
   82    54   -57    60   0.15600 -1.0 2.0
   82    54   -57    60  -0.50800  1.0 3.0
   82    54    57    62   0.09850  1.0 1.0
   82    54    57    62   0.15250 -1.0 2.0
   82    54    57    62  -0.50650  1.0 3.0
   83    82    54    49   0.15000  1.0 3.0
   83    82    54    55   0.15000  1.0 3.0
   83    82    54    57   0.15000  1.0 3.0
   83    82    71    60   0.08050  1.0 3.0
   54    49    51    52   0.15000  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49    51    56   0.34400  1.0 1.0
   54    49    51    56   0.09450 -1.0 2.0
   54    49    51    56   0.11100  1.0 3.0
   54    82   -71    60  -0.25900  1.0 1.0
   54    82   -71    60  -0.47000 -1.0 2.0
   54    82   -71    60   0.11750  1.0 3.0
   54    57    60    61  -0.64400  1.0 1.0
   54    57    60    61   0.26850 -1.0 2.0
   54    57   -60    71  -0.15000  1.0 1.0
   54    57   -60    71   0.89550 -1.0 2.0
   54    57   -60    71  -0.06900  1.0 3.0
   54    57    62    63   7.00000 -1.0 2.0
   54    57    62    64   7.00000 -1.0 2.0
   55    54    57    60   0.15000  1.0 3.0
   55    54    57    62   0.00000  1.0 1.0
   57    60   -71    82   2.00000 -1.0 2.0
   60    57    62    63   7.00000 -1.0 2.0
   60    57    62    64   7.00000 -1.0 2.0
   61    60    71    82   3.00000 -1.0 2.0
   71    82    54    49   0.62750  1.0 1.0
   71    82    54    49  -0.30950 -1.0 2.0
   71    82    54    49   0.27300  1.0 3.0
   71    82    54    55   0.23400  1.0 3.0
   71    82   -54    57   0.61850  1.0 1.0
   71    82   -54    57  -0.22750 -1.0 2.0
   71    82   -54    57   0.15300  1.0 3.0
   62    57    60    61   1.00000 -1.0 2.0
   62    57    60    71  -0.56150  1.0 1.0
   62    57    60    71   2.19150 -1.0 2.0
   79    74    77    58   0.09850  1.0 1.0
   79    74    77    58   0.15250 -1.0 2.0
   79    74    77    58  -0.50650  1.0 3.0
   79    74    77    78   0.00000  1.0 1.0
   79    74    77    82   0.09850  1.0 1.0
   79    74    77    82   0.15250 -1.0 2.0
   79    74    77    82  -0.50650  1.0 3.0
   75    72    74    77   0.18000  1.0 1.0
   75    72    74    77   0.16450 -1.0 2.0
   75    72    74    77   0.04450  1.0 3.0
   75    72    74    79   0.67800  1.0 1.0
   75    72    74    79   0.47050 -1.0 2.0
   75    72    74    79  -0.62500  1.0 3.0
   65    56    58    59   0.00000  1.0 1.0
   65    56    58    68   0.09850  1.0 1.0
   65    56    58    68   0.15250 -1.0 2.0
   65    56    58    68  -0.50650  1.0 3.0
   65    56    58    77   0.09850  1.0 1.0
   65    56    58    77   0.15250 -1.0 2.0
   65    56    58    77  -0.50650  1.0 3.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    46   0.36750  1.0 3.0
   44    43    47    48   0.19450  1.0 3.0
   45    43    47    48   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   39    46    41    42  10.50000 -1.0 2.0
   51    58    56    65   1.10000 -1.0 2.0
   72    77    74    79   1.10000 -1.0 2.0
   54    60    57    62   1.10000 -1.0 2.0
   57    71    60    61  10.50000 -1.0 2.0
   63    64    62    57   1.10000 -1.0 2.0
   80    81    79    74   1.10000 -1.0 2.0
   66    67    65    56   1.10000 -1.0 2.0
END
