* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    147    233     431
    1     0 S   NP   _N1_     1    28.87785    95.20678   -25.20080
    2     1 S   H    _HN1     2     1.02828    32.02759  -167.80563
    3     1 S   H    _H1_     3     1.02787   116.66575   -86.71017
    4     1 S   H    _H2_     4     1.02950    75.14560    16.67882
    5     1 S   CT   _CA1     5     1.50112   125.75287   121.36622
    6     5 S   HC   _HA1     6     1.09571   105.19696    91.63217
    7     5 S   CO3  _C1_     7     1.53783   112.45698   -28.62285
    8     7 S   O2Z  _O11     8     1.26373   115.00393   -42.67258
    9     7 S   O2Z  _O12     9     1.26236   114.94175   136.45631
   10     5 S   CT   _CB1    10     1.53075   107.42446  -150.37048
   11    10 S   HC   HB11    11     1.09834   109.37920   -49.59165
   12    10 S   HC   HB12    12     1.09813   110.44617    67.01478
   13    10 S   CT   _CG1    13     1.52999   112.61249  -170.55760
   14    13 S   HC   HG11    14     1.09580   110.65457   -65.69402
   15    13 S   HC   HG12    15     1.09669   109.77571    53.55127
   16    13 S   C    _CD1    16     1.51797   112.17491   174.02420
   17    16 S   O    _OE1    17     1.22735   123.26529     7.89615
   18    16 S   N    _N2_    18     1.38655   111.71429  -172.27610
   19    18 S   H    _HN2    19     1.01584   118.94863     1.68632
   20    18 S   CT1  _CA2    20     1.46192   123.33909   177.39902
   21    20 S   HC   _HA2    21     1.09741   109.35485     2.56140
   22    20 S   C    _C2_    22     1.53543   108.64482  -112.92079
   23    22 S   O    _O2_    23     1.23058   122.27061  -148.02354
   24    20 S   CT   _CB2    32     1.53313   111.61336   124.54040
   25    24 S   HC   HB21    33     1.09501   110.09953    56.91610
   26    24 S   HC   HB22    34     1.09522   110.05185   175.92571
   27    22 S   N    _N3_    24     1.38322   113.70440    39.41540
   28    27 S   H    _HN3    25     1.01585   119.58526    -3.33689
   29    24 S   S    _SG2    35     1.82790   111.43139   -64.50153
   30    27 S   CT   _CA3    26     1.45288   123.23205   177.13693
   31    30 S   HC   HA31    27     1.09548   107.50971   -64.62762
   32    30 S   HC   HA32    28     1.09556   107.98905    51.81649
   33    29 S   CT   _C20    36     1.84667    99.75641  -179.19133
   34    33 S   HC   _H4_    37     1.09652   106.08680    32.49630
   35    30 S   CO3  _C3_    29     1.52965   114.06579   173.81243
   36    35 S   O2Z  _O31    30     1.26378   116.06313    -0.69689
   37    35 S   O2Z  _O32    31     1.26427   114.41544   179.36357
   38    33 S   CT   _C19    38     1.54047   106.78737   -84.19553
   39    38 S   HC   _H17    39     1.09586   110.70125   166.09204
   40    38 S   HC   _H18    40     1.09591   111.49160    47.88889
   41    38 S   CO4  _C18    41     1.51897   112.29469   -73.98167
   42    41 S   O    _O33    42     1.22993   121.48806   156.16848
   43    41 S   CM   _C17    43     1.48526   118.98684   -26.50249
   44    43 S   HC   _H16    44     1.08376   117.70140  -179.93147
   45    43 S   CM   _C16    45     1.33938   120.65043    -1.60815
   46    45 S   HC   _H15    46     1.08811   117.98162  -177.81385
   47    33 S   CT   _C15    47     1.56958   115.92421   153.23290
   48    47 S   CA   _C11    48     1.53057   118.59672   -62.55539
   49    47 S   CT   _C14    71     1.58991   106.54485  -172.77675
   50    49 S   HC   _H13    72     1.10091   109.73639    36.60426
   51    49 S   HC   _H14    73     1.09679   112.92840   -82.37991
   52    48 S   CR3  _C12    49     1.40480   109.69846  -128.87953
   53    52 S   CA   _C7_    50     1.39149   124.48580   175.35181
   54    53 S   CA   _C8_    51     1.38892   117.65084     3.42777
   55    54 S   HA   _H12    52     1.08636   120.52390  -179.70725
   56    53 S   CT   _C6_    62     1.50333   118.83450  -172.21961
   57    56 S   HC   _H10    63     1.09744   107.68451   105.56715
   58    56 S   HC   _H11    64     1.09614   109.87917  -137.21262
   59    54 S   CA   _C9_    53     1.40230   119.31076     1.17453
   60    56 S   CT   _C5_    65     1.54585   113.53829   -14.84039
   61    60 S   HC   _H8_    66     1.09715   107.89978   162.75668
   62    60 S   HC   _H9_    67     1.09909   109.12530   -81.51156
   63    48 S   CA   _C10    54     1.38824   133.46613    54.94917
   64    59 S   OS   _O35    57     1.37467   117.84182   175.46335
   65    60 S   NT   _N4_    68     1.48073   112.52042    40.94725
   66    63 S   OH   _O34    55     1.36224   123.39808     6.40496
   67    66 S   HO   _H19    56     0.97211   108.70696    -1.45481
   68    64 S   CT   _C21    58     1.42801   109.94016    95.19411
   69    68 S   HC   _H20    59     1.09408   107.80765  -179.03754
   70    68 S   HC   _H21    60     1.09542   111.39592    62.64015
   71    68 S   HC   _H22    61     1.09569   111.14795   -60.82857
   72    52 S   CT   _C13    69     1.49705   112.88443    -7.83211
   73    72 S   HC   _H3_    70     1.09975   108.30739   -87.24088
   74    65 S   CT   _C4_    74     1.46258   110.34032   175.22591
   75    74 S   HC   _H5_    75     1.09510   110.87572  -177.06082
   76    74 S   HC   _H6_    76     1.09599   112.27026    61.50072
   77    74 S   HC   _H7_    77     1.09576   110.43241   -59.42241
  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  10   5   4   3
  17   8   2   1   1  10   5   4   6   3   6   3   9   3  12  15
  10   5   4  14  14  11   4   9   5   4   8   9   4   3   5   5
   6   1   1   3   2   1   1   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    47    48    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    47    48    52    63    72    49    50    51  
   38    39    40    41    45    47    48    49  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    47    48    49  
   40    41    42    43    47  
   41    42    43    47  
   42    43    44    45    46    47  
   43    44    45  
   44    45    46    47    48    49  
   45    46    47  
   46    47    48    52    63    72    49    50    51  
   47    48    49  
   48    52    53    59    63    66    65    72    73    49    50    51  
   52    53    54    59    63    66    67    64    56    65    72    73    49    50    51  
   50    51    74    52    53    60    63    65    72    73  
   51    52    65    72    73  
   52    65    72    73  
   53    54    55    59    63    66    56    57    58    60    65    72    73    74  
   54    55    59    63    64    56    57    58    60    61    62    65    72    73  
   55    59    63    66    64    68    56    57    58    60    72  
   59    63    64    56  
   57    58    60    61    62    65    72    74    59  
   58    60    61    62    65  
   60    61    62    65  
   63    66    67    64    68    69    70    71  
   61    62    65    72    73    74    75    76    77  
   62    65    72    74  
   65    72    74  
   66    67    64    68    72  
   68    69    70    71    66  
   72    73    74    75    76    77  
   67  
    0  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   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    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   268.000  1.529
   33    47   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   317.000  1.510
   47    49   268.000  1.529
   48    52   490.000  1.398
   48    63   469.000  1.400
   52    53   490.000  1.398
   52    72   317.000  1.510
   53    54   469.000  1.400
   53    56   317.000  1.510
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    63   469.000  1.400
   59    64   450.000  1.364
   63    66   450.000  1.364
   66    67   553.000  0.945
   64    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   382.000  1.448
   65    72   382.000  1.448
   65    74   382.000  1.448
   72    73   340.000  1.090
   72    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    47    45    70.00000  112.02700
   33    47    48    70.00000  112.17500
   33    47    49    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    35.00000  120.00000
   43    45    47    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    47    48    70.00000  112.99600
   45    47    49    70.00000  112.02700
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    45    46    35.00000  117.00000
   47    48    52    80.00000  105.07000
   47    48    63    70.00000  120.00000
   47    49    72    58.35000  112.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   48    52    53    60.00000  130.80000
   48    52    72    70.00000  120.00000
   48    63    59    63.00000  120.00000
   48    63    66    70.00000  120.00000
   52    53    54    70.00000  112.88000
   52    53    56    80.00000  105.07000
   52    72    65    75.00000  112.33000
   52    72    73    35.00000  109.50000
   52    72    49    70.00000  112.17500
   53    54    55    35.00000  120.00000
   53    54    59    63.00000  120.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    60    70.00000  112.17500
   54    59    63    63.00000  120.00000
   54    59    64    70.00000  120.00000
   59    54    55    35.00000  120.00000
   59    63    66    70.00000  120.00000
   59    64    68    75.00000  111.00000
   63    48    52    70.00000  112.88000
   63    66    67    35.00000  113.00000
   64    59    63    70.00000  120.00000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   56    53    54    70.00000  120.00000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    65    56.20000  109.47000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    65    72    51.80000  107.20000
   60    65    74    51.80000  107.20000
   62    60    61    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    35.00000  109.50000
   65    72    73    35.00000  109.50000
   65    72    49    56.20000  109.47000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   72    52    53    70.00000  120.00000
   72    49    50    37.50000  110.70000
   72    49    51    37.50000  110.70000
   49    47    48    70.00000  112.17500
   49    72    73    37.50000  110.70000
   51    49    50    33.00000  107.80000
   74    65    72    51.80000  107.20000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    45   0.56750  1.0 1.0
   29    33    47    45  -0.07550 -1.0 2.0
   29    33    47    45   0.20000  1.0 3.0
   29    33    47    48   0.56750  1.0 1.0
   29    33    47    48  -0.07550 -1.0 2.0
   29    33    47    48   0.20000  1.0 3.0
   29    33    47    49   0.44750  1.0 1.0
   29    33    47    49  -0.17800 -1.0 2.0
   29    33    47    49   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.65300  1.0 1.0
   33    38    41    43  -0.03850 -1.0 2.0
   33    38    41    43   0.33900  1.0 3.0
   33    47    48    52   0.04150 -1.0 2.0
   33    47    48    63   0.04150 -1.0 2.0
   33    47    49    72   0.56750  1.0 1.0
   33    47    49    72  -0.07550 -1.0 2.0
   33    47    49    72   0.20000  1.0 3.0
   33    47    49    50   0.15000  1.0 3.0
   33    47    49    51   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    47    45   0.15000  1.0 3.0
   34    33    47    48   0.43200  1.0 3.0
   34    33    47    49   0.15000  1.0 3.0
   38    33    47    45   0.34400  1.0 1.0
   38    33    47    45   0.09450 -1.0 2.0
   38    33    47    45   0.11100  1.0 3.0
   38    33    47    48  -0.03700  1.0 1.0
   38    33    47    48   0.37200 -1.0 2.0
   38    33    47    48  -0.47300  1.0 3.0
   38    33    47    49   0.56750  1.0 1.0
   38    33    47    49  -0.07550 -1.0 2.0
   38    33    47    49   0.20000  1.0 3.0
   38    41    43    44   0.04550  1.0 1.0
   38    41    43    44   0.83000 -1.0 2.0
   38    41    43    44  -0.04000  1.0 3.0
   38    41   -43    45  -0.33500  1.0 1.0
   38    41   -43    45   1.06600 -1.0 2.0
   38    41   -43    45  -0.14000  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    45    46   7.00000 -1.0 2.0
   41    43    45    47   7.00000 -1.0 2.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   1.00000 -1.0 2.0
   43    45   -47    33   0.09850  1.0 1.0
   43    45   -47    33   0.15250 -1.0 2.0
   43    45   -47    33  -0.50650  1.0 3.0
   43    45    47    48   1.44450  1.0 1.0
   43    45    47    48   0.06600 -1.0 2.0
   43    45    47    48   0.29250  1.0 3.0
   43    45    47    49   0.09850  1.0 1.0
   43    45    47    49   0.15250 -1.0 2.0
   43    45    47    49  -0.50650  1.0 3.0
   44    43    45    46   7.00000 -1.0 2.0
   44    43    45    47   7.00000 -1.0 2.0
   45    47    48    52   0.18050 -1.0 2.0
   45    47    48    63   0.18050 -1.0 2.0
   45    47    49    72   0.34400  1.0 1.0
   45    47    49    72   0.09450 -1.0 2.0
   45    47    49    72   0.11100  1.0 3.0
   45    47    49    50   0.15000  1.0 3.0
   45    47    49    51   0.15000  1.0 3.0
   46    45    47    33   0.00000  1.0 1.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    49   0.00000  1.0 1.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41  -0.95700  1.0 1.0
   47    33   -38    41  -0.18200 -1.0 2.0
   47    33   -38    41   0.29450  1.0 3.0
   47    48    52    53   3.62500 -1.0 2.0
   47    48   -52    72   3.62500 -1.0 2.0
   47    48    63    59   3.62500 -1.0 2.0
   47    48    63    66   3.62500 -1.0 2.0
   48    47   -49    72  -0.03700  1.0 1.0
   48    47   -49    72   0.37200 -1.0 2.0
   48    47   -49    72  -0.47300  1.0 3.0
   48    47    49    50   0.43200  1.0 3.0
   48    47    49    51   0.43200  1.0 3.0
   48    52    53    54   3.62500 -1.0 2.0
   48    52    53    56   3.62500 -1.0 2.0
   48    52    72    65   0.18550 -1.0 2.0
   48    52    72    65   0.14000  1.0 3.0
   48    52    72    73   0.00000  1.0 1.0
   48    52   -72    49   0.04150 -1.0 2.0
   48    63    66    67   0.84100 -1.0 2.0
   52    48    63    59   3.62500 -1.0 2.0
   52    48    63    66   3.62500 -1.0 2.0
   52    53    54    55   3.62500 -1.0 2.0
   52    53   -54    59   3.62500 -1.0 2.0
   52    53    56    57   0.00000  1.0 1.0
   52    53    56    58   0.00000  1.0 1.0
   52    53    56    60   0.04150 -1.0 2.0
   52    72   -49    47  -0.03700  1.0 1.0
   52    72   -49    47   0.37200 -1.0 2.0
   52    72   -49    47  -0.47300  1.0 3.0
   52    72    49    50   0.43200  1.0 3.0
   52    72    49    51   0.43200  1.0 3.0
   53    52    72    65   0.18550 -1.0 2.0
   53    52    72    65   0.14000  1.0 3.0
   53    52    72    73   0.00000  1.0 1.0
   53    52    72    49   0.04150 -1.0 2.0
   53    54    59    63   3.62500 -1.0 2.0
   53    54    59    64   3.62500 -1.0 2.0
   53    56    60    61   0.43200  1.0 3.0
   53    56    60    62   0.43200  1.0 3.0
   53    56   -60    65   0.83750  1.0 1.0
   53    56   -60    65   0.32200 -1.0 2.0
   53    56   -60    65   0.70600  1.0 3.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    58   0.00000  1.0 1.0
   54    53    56    60   0.04150 -1.0 2.0
   54    59   -63    48   3.62500 -1.0 2.0
   54    59    63    66   3.62500 -1.0 2.0
   54    59    64    68   1.63200 -1.0 2.0
   55    54    59    63   3.62500 -1.0 2.0
   55    54    59    64   3.62500 -1.0 2.0
   59    63    66    67   0.84100 -1.0 2.0
   59    64    68    69   0.08050  1.0 3.0
   59    64    68    70   0.08050  1.0 3.0
   59    64    68    71   0.08050  1.0 3.0
   63    48   -52    53   3.62500 -1.0 2.0
   63    48    52    72   3.62500 -1.0 2.0
   63    59    64    68   1.63200 -1.0 2.0
   64    59    63    48   3.62500 -1.0 2.0
   64    59    63    66   3.62500 -1.0 2.0
   56    53    54    55   3.62500 -1.0 2.0
   56    53    54    59   3.62500 -1.0 2.0
   56    60    65    72   0.23450  1.0 1.0
   56    60    65    72   0.02050 -1.0 2.0
   56    60    65    72   0.25250  1.0 3.0
   56    60    65    74   0.58650  1.0 1.0
   56    60    65    74   0.12600 -1.0 2.0
   56    60    65    74   0.33350  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    65   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    65   0.15000  1.0 3.0
   60    65   -72    52   0.82600  1.0 1.0
   60    65   -72    52  -0.32100 -1.0 2.0
   60    65   -72    52   1.02000  1.0 3.0
   60    65    72    73   0.28000  1.0 3.0
   60    65    72    49   0.23450  1.0 1.0
   60    65    72    49   0.02050 -1.0 2.0
   60    65    72    49   0.25250  1.0 3.0
   60    65    74    75   0.28000  1.0 3.0
   60    65    74    76   0.28000  1.0 3.0
   60    65    74    77   0.28000  1.0 3.0
   61    60    65    72   0.28000  1.0 3.0
   61    60    65    74   0.28000  1.0 3.0
   62    60    65    72   0.28000  1.0 3.0
   62    60    65    74   0.28000  1.0 3.0
   65    72    49    47   1.53400  1.0 1.0
   65    72    49    47  -0.09950 -1.0 2.0
   65    72    49    47   0.05700  1.0 3.0
   65    72    49    50   0.15000  1.0 3.0
   65    72    49    51   0.15000  1.0 3.0
   72    52    53    54   3.62500 -1.0 2.0
   72    52   -53    56   3.62500 -1.0 2.0
   72    65    74    75   0.28000  1.0 3.0
   72    65    74    76   0.28000  1.0 3.0
   72    65    74    77   0.28000  1.0 3.0
   73    72    49    47   0.15000  1.0 3.0
   73    72    49    50   0.15000  1.0 3.0
   73    72    49    51   0.15000  1.0 3.0
   49    47   -48    52   0.04150 -1.0 2.0
   49    47    48    63   0.04150 -1.0 2.0
   74    65    72    52   0.82600  1.0 1.0
   74    65    72    52  -0.32100 -1.0 2.0
   74    65    72    52   1.02000  1.0 3.0
   74    65    72    73   0.28000  1.0 3.0
   74    65    72    49   0.58650  1.0 1.0
   74    65    72    49   0.12600 -1.0 2.0
   74    65    72    49   0.33350  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   47    46    45    43   1.10000 -1.0 2.0
   52    63    48    47   4.00000 -1.0 2.0
   53    72    52    48   4.00000 -1.0 2.0
   54    56    53    52   4.00000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   63    64    59    54   4.00000 -1.0 2.0
   59    66    63    48   4.00000 -1.0 2.0
END
