* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    154    255     463
    1     0 S   NP   _N1_     1    28.68684    96.56702   -22.93965
    2     1 S   H    _HN1     2     1.02787   100.82871   -89.78999
    3     1 S   H    _H1_     3     1.02949    72.32700    16.18953
    4     1 S   H    _H2_     4     1.02832    40.07620   165.27107
    5     1 S   CT   _CA1     5     1.50104   143.03968   116.91765
    6     5 S   HC   _HA1     6     1.09571   105.21862    90.26484
    7     5 S   CO3  _C1_     7     1.53803   112.38297   -30.02700
    8     7 S   O2Z  _O11     8     1.26376   115.01915   -44.52703
    9     7 S   O2Z  _O12     9     1.26233   114.94652   134.59948
   10     5 S   CT   _CB1    10     1.53078   107.42841  -151.74092
   11    10 S   HC   HB11    11     1.09832   109.45396   -49.55240
   12    10 S   HC   HB12    12     1.09813   110.42641    67.06991
   13    10 S   CT   _CG1    13     1.52990   112.56646  -170.50645
   14    13 S   HC   HG11    14     1.09585   110.62547   -64.09701
   15    13 S   HC   HG12    15     1.09665   109.81338    55.13545
   16    13 S   C    _CD1    16     1.51793   112.21071   175.64765
   17    16 S   O    _OE1    17     1.22734   123.27442     5.96417
   18    16 S   N    _N2_    18     1.38629   111.67647  -174.28557
   19    18 S   H    _HN2    19     1.01584   119.02536     1.85604
   20    18 S   CT1  _CA2    20     1.46214   123.41209   178.50905
   21    20 S   HC   _HA2    21     1.09738   109.32805     2.49340
   22    20 S   C    _C2_    22     1.53555   108.86667  -113.04723
   23    22 S   O    _O2_    23     1.23072   122.24555  -149.52572
   24    20 S   CT   _CB2    32     1.53434   111.48626   124.40910
   25    24 S   HC   HB21    33     1.09509   109.63269    57.01782
   26    24 S   HC   HB22    34     1.09386   109.74201   175.81399
   27    22 S   N    _N3_    24     1.38322   113.75885    38.01750
   28    27 S   H    _HN3    25     1.01583   119.55902    -3.47615
   29    24 S   S    _SG2    35     1.83351   111.03091   -64.49609
   30    27 S   CT   _CA3    26     1.45276   123.20229   177.06815
   31    30 S   HC   HA31    27     1.09550   107.52612   -64.26222
   32    30 S   HC   HA32    28     1.09558   107.96412    52.16624
   33    29 S   CT   _C18    36     1.87314   101.93359   172.43019
   34    33 S   OM   _O37    37     1.32566   107.78485   -65.95476
   35    30 S   CO3  _C3_    29     1.52952   114.09908   174.17042
   36    35 S   O2Z  _O31    30     1.26373   116.08266    -0.08623
   37    35 S   O2Z  _O32    31     1.26430   114.40572   179.97202
   38    33 S   CT   _C19    38     1.55896   112.48080    54.02535
   39    38 S   HC   _H5_    39     1.10223   109.00226   -73.08591
   40    33 S   CT   _C17    71     1.56807   108.07222   176.49463
   41    40 S   HC   _H4_    72     1.09536   110.08173   -53.85673
   42    38 S   CO4  _C20    40     1.53193   110.52134   171.28458
   43    42 S   O    _O33    41     1.23335   120.59445   133.22400
   44    40 S   NP   _N5_    73     1.50315   109.30966    60.32394
   45    44 S   H    _H17    74     1.02876   110.32533    66.62654
   46    44 S   H    _H18    75     1.02927   109.49039   -50.29473
   47    44 S   H    _H19    76     1.02611   113.50337  -170.40550
   48    38 S   C    _C23    79     1.53351   115.13049    46.89576
   49    48 S   O    _O36    80     1.22757   124.06755    31.81204
   50    42 S   CT   _C21    42     1.53059   117.60655   -51.08784
   51    48 S   N    _N4_    81     1.37636   113.28046  -150.54236
   52    51 S   H    _H15    82     1.01457   122.71511     0.39909
   53    51 S   H    _H16    83     1.01402   120.32878  -179.09172
   54    50 S   CO4  _C22    43     1.52140   112.63397   -78.05782
   55    54 S   O    _O34    44     1.23062   120.37620   -39.44366
   56    50 S   OH   _O35    77     1.43106   107.15841   168.53262
   57    56 S   HO   _H14    78     0.97438   107.67282    53.21079
   58    54 S   CA   _C13    45     1.49692   119.80749   142.98067
   59    58 S   CA   _C14    46     1.40296   119.42877    12.01628
   60    58 S   CA   _C12    57     1.40800   120.78322  -168.55909
   61    59 S   CA   _C5_    47     1.41891   119.32577   174.68363
   62    60 S   OH   _O38    58     1.37641   120.51552     1.85857
   63    62 S   HO   _H20    59     0.97220   110.05697    -2.55642
   64    59 S   CT   _C15    66     1.51216   119.59569    -3.41810
   65    64 S   HC   _H12    67     1.09772   107.85742    89.97350
   66    64 S   HC   _H13    68     1.09300   111.34592  -153.74961
   67    61 S   CA   _C6_    48     1.43100   120.56733     7.42201
   68    61 S   CT   _C4_    62     1.51697   119.57117  -174.02607
   69    68 S   HC   _H6_    63     1.09402   110.09837   -93.73613
   70    68 S   HC   _H7_    64     1.09392   112.14907    28.08768
   71    68 S   HC   _H8_    65     1.09422   111.62842   144.21699
   72    50 S   CT   _C16    69     1.52926   111.07727    50.61252
   73    72 S   HC   _H3_    70     1.10052   108.04738    69.24990
   74    67 S   CA   _C7_    49     1.41853   122.14104   174.20607
   75    74 S   HA   _H9_    50     1.08761   121.11792    -1.49030
   76    74 S   CA   _C8_    51     1.39365   122.73786   179.41383
   77    76 S   HA   _H10    52     1.08605   120.08468  -179.97202
   78    76 S   CA   _C9_    53     1.38082   119.61089     0.18345
   79    78 S   HA   _H11    54     1.08600   119.45865  -179.91844
   80    78 S   CA   _C10    55     1.39538   119.30302     0.42887
   81    67 S   CA   _C11    56     1.42093   119.90047    -5.37152
   82    80 S   OH   _O39    60     1.37448   117.29193   179.61285
   83    82 S   HO   _H21    61     0.97168   109.41346     0.13122
  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
  18   8   2   1   1  15   7  16   8  13   5   7   3   2   1   5
   3  12   2   1   1  12   5   5   1  13  15  10  14   4   1   6
   3   2  12   5   2   1   1   1   1   7   4   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    72    40    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    64    72    73    40    41    44    45    46    47    48    49    51  
   38    39    42    72    40    41    44    48  
   36    37  
   37  
    0  
   39    42    43    50    54    72    40    41    44    56    48    49    51    52    53  
   42    43    50    40    48    49    51  
   41    44    45    46    47    56    48    42    50    54    59    64    65    66    72    73  
   44    45    46    47    50    64    72    73  
   43    50    54    55    58    64    72    73    56    57    48    49    51  
   50    54    72    56    48  
   45    46    47    50    64    72    73  
   46    47    72  
   47    72  
   72  
   49    51    52    53    50  
   51    52    53  
   54    55    58    59    60    64    65    66    72    73    56    57  
   52    53  
   53  
    0  
   55    58    59    61    81    60    62    64    72    73    56    57  
   58    59    60    72    56  
   57    58    64    72    73  
   72  
   59    61    67    80    81    60    62    63    68    64    65    66    72  
   61    67    74    81    60    62    68    69    70    71    64    65    66    72    73  
   62    63    82    64    61    67    74    78    80    81  
   67    74    75    76    80    81    68    69    70    71    64    65    66    72  
   63    67    80    81  
   81  
   65    66    72    73    67    68  
   66    72    73  
   72    73  
   74    75    76    77    78    80    81    82    68    69    70    71  
   69    70    71    74    81  
   70    71  
   71  
    0  
   73  
    0  
   75    76    77    78    79    80    81  
   76    77    78    81  
   77    78    79    80    81    82  
   78    79    80  
   79    80    81    82    83  
   80    81    82  
   81    82    83  
   82    83  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.300000   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   47   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   53   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   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   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    48   317.000  1.522
   42    43   570.000  1.229
   42    50   317.000  1.522
   50    54   317.000  1.522
   50    72   268.000  1.529
   50    56   320.000  1.410
   54    55   570.000  1.229
   54    58   310.000  1.470
   58    59   469.000  1.400
   58    60   469.000  1.400
   59    61   469.000  1.400
   59    64   317.000  1.510
   61    67   469.000  1.400
   61    68   317.000  1.510
   67    74   469.000  1.400
   67    81   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   367.000  1.080
   78    80   469.000  1.400
   80    81   469.000  1.400
   80    82   450.000  1.364
   81    60   469.000  1.400
   60    62   450.000  1.364
   62    63   553.000  0.945
   82    83   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    40   268.000  1.529
   40    41   340.000  1.090
   40    44   367.000  1.471
   44    45   434.000  1.010
   44    46   434.000  1.010
   44    47   434.000  1.010
   56    57   553.000  0.945
   48    49   570.000  1.229
   48    51   490.000  1.335
   51    52   434.000  1.010
   51    53   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    48    63.00000  111.10000
   33    40    72    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    80.00000  111.20000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    50    70.00000  116.00000
   38    48    49    80.00000  120.40000
   38    48    51    70.00000  116.60000
   42    38    39    35.00000  109.50000
   42    50    54    75.00000  107.99600
   42    50    72    63.00000  111.10000
   42    50    56    90.00000  109.61100
   50    42    43    80.00000  120.40000
   50    54    55    80.00000  120.40000
   50    54    58    65.00000  115.47100
   50    72    64    58.35000  112.70000
   50    72    73    37.50000  110.70000
   50    72    40    58.35000  112.70000
   50    56    57    55.00000  108.50000
   54    58    59    60.00000  119.52600
   54    58    60    60.00000  119.52600
   58    54    55    75.00000  123.78400
   58    59    61    63.00000  120.00000
   58    59    64    70.00000  120.00000
   58    60    81    63.00000  120.00000
   58    60    62    70.00000  120.00000
   59    61    67    63.00000  120.00000
   59    61    68    70.00000  120.00000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    72    70.00000  112.17500
   61    67    74    63.00000  120.00000
   61    67    81    63.00000  120.00000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   67    74    75    35.00000  120.00000
   67    74    76    63.00000  120.00000
   67    81    80    63.00000  120.00000
   67    81    60    63.00000  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    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    80    81    63.00000  120.00000
   78    80    82    70.00000  120.00000
   80    78    79    35.00000  120.00000
   80    81    60    63.00000  120.00000
   80    82    83    35.00000  113.00000
   81    67    74    63.00000  120.00000
   81    60    62    70.00000  120.00000
   60    58    59    63.00000  120.00000
   60    62    63    35.00000  113.00000
   82    80    81    70.00000  120.00000
   68    61    67    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   64    59    61    70.00000  120.00000
   64    72    73    37.50000  110.70000
   64    72    40    58.35000  112.70000
   66    64    65    33.00000  107.80000
   72    50    54    63.00000  111.10000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    40    41    37.50000  110.70000
   72    40    44    80.00000  111.20000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    72    73    37.50000  110.70000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    47    35.00000  109.50000
   44    40    41    35.00000  109.50000
   46    44    45    35.00000  109.50000
   47    44    45    35.00000  109.50000
   47    44    46    35.00000  109.50000
   56    50    54    90.00000  109.61100
   56    50    72    50.00000  109.50000
   48    38    39    35.00000  109.50000
   48    38    42    70.00000  107.85200
   48    51    52    35.00000  119.80000
   48    51    53    35.00000  119.80000
   51    48    49    80.00000  122.90000
   53    51    52    35.00000  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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    72   0.44750  1.0 1.0
   29    33    40    72  -0.17800 -1.0 2.0
   29    33    40    72   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    50   0.60050  1.0 1.0
   33    38    42    50   0.05600 -1.0 2.0
   33    38    42    50   0.26150  1.0 3.0
   33    38    48    49   0.30150 -1.0 2.0
   33    38    48    51   1.39750  1.0 1.0
   33    38    48    51  -0.07950 -1.0 2.0
   33    38    48    51  -0.18750  1.0 3.0
   33    40    44    45   0.17350  1.0 3.0
   33    40    44    46   0.17350  1.0 3.0
   33    40    44    47   0.17350  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    48  -0.09450  1.0 1.0
   34    33    38    48  -1.12950 -1.0 2.0
   34    33    38    48   0.54000  1.0 3.0
   34    33    40    72   0.62750  1.0 1.0
   34    33    40    72  -0.30950 -1.0 2.0
   34    33    40    72   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.69300  1.0 1.0
   34    33    40    44  -0.48450 -1.0 2.0
   38    33    40    72   0.56750  1.0 1.0
   38    33    40    72  -0.07550 -1.0 2.0
   38    33    40    72   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   1.36600  1.0 1.0
   38    33    40    44  -0.11450 -1.0 2.0
   38    33    40    44   0.24250  1.0 3.0
   38    42    50    54   0.65300  1.0 1.0
   38    42    50    54  -0.03850 -1.0 2.0
   38    42    50    54   0.33900  1.0 3.0
   38    42   -50    72   0.60050  1.0 1.0
   38    42   -50    72   0.05600 -1.0 2.0
   38    42   -50    72   0.26150  1.0 3.0
   38    42    50    56   0.55300  1.0 1.0
   38    42    50    56   1.25850 -1.0 2.0
   38    42    50    56  -0.23600  1.0 3.0
   38    48    51    52   2.45000 -1.0 2.0
   38    48    51    53   2.45000 -1.0 2.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    50   0.00000  1.0 1.0
   39    38    48    49   0.00000  1.0 1.0
   39    38    48    51   0.00000  1.0 1.0
   42    38    48    49   0.30150 -1.0 2.0
   42    38    48    51   0.00000  1.0 1.0
   42    50    54    55   0.30150 -1.0 2.0
   42    50    54    58   0.65300  1.0 1.0
   42    50    54    58  -0.03850 -1.0 2.0
   42    50    54    58   0.33900  1.0 3.0
   42    50    72    64  -0.95700  1.0 1.0
   42    50    72    64  -0.18200 -1.0 2.0
   42    50    72    64   0.29450  1.0 3.0
   42    50    72    73  -0.11250  1.0 3.0
   42    50    72    40  -0.95700  1.0 1.0
   42    50    72    40  -0.18200 -1.0 2.0
   42    50    72    40   0.29450  1.0 3.0
   42    50    56    57   0.91850  1.0 1.0
   42    50    56    57   0.57950  1.0 3.0
   43    42    50    54   0.30150 -1.0 2.0
   43    42    50    72   0.30150 -1.0 2.0
   43    42    50    56   0.30150 -1.0 2.0
   50    54    58    59   2.26350  1.0 1.0
   50    54    58    59   0.76750 -1.0 2.0
   50    54    58    59   0.22500  1.0 3.0
   50    54    58    60   2.26350  1.0 1.0
   50    54    58    60   0.76750 -1.0 2.0
   50    54    58    60   0.22500  1.0 3.0
   50    72   -40    33   0.56750  1.0 1.0
   50    72   -40    33  -0.07550 -1.0 2.0
   50    72   -40    33   0.20000  1.0 3.0
   50    72    40    41   0.15000  1.0 3.0
   50    72    40    44   1.36600  1.0 1.0
   50    72    40    44  -0.11450 -1.0 2.0
   50    72    40    44   0.24250  1.0 3.0
   54    50    72    64  -0.95700  1.0 1.0
   54    50    72    64  -0.18200 -1.0 2.0
   54    50    72    64   0.29450  1.0 3.0
   54    50    72    73  -0.11250  1.0 3.0
   54    50    72    40  -0.95700  1.0 1.0
   54    50    72    40  -0.18200 -1.0 2.0
   54    50    72    40   0.29450  1.0 3.0
   54    50    56    57   0.91850  1.0 1.0
   54    50    56    57   0.57950  1.0 3.0
   54    58    59    61   3.62500 -1.0 2.0
   54    58   -59    64   3.62500 -1.0 2.0
   54    58    60    81   3.62500 -1.0 2.0
   54    58    60    62   3.62500 -1.0 2.0
   55    54    58    59   1.05000 -1.0 2.0
   55    54    58    60   1.05000 -1.0 2.0
   58    59    61    67   3.62500 -1.0 2.0
   58    59    61    68   3.62500 -1.0 2.0
   58    59    64    65   0.00000  1.0 1.0
   58    59    64    66   0.00000  1.0 1.0
   58    59    64    72   0.04150 -1.0 2.0
   58    60    62    63   0.84100 -1.0 2.0
   59    58    60    81   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   59    61    67    74   3.62500 -1.0 2.0
   59    61   -67    81   3.62500 -1.0 2.0
   59    61    68    69   0.00000  1.0 1.0
   59    61    68    70   0.00000  1.0 1.0
   59    61    68    71   0.00000  1.0 1.0
   59    64   -72    50  -0.03700  1.0 1.0
   59    64   -72    50   0.37200 -1.0 2.0
   59    64   -72    50  -0.47300  1.0 3.0
   59    64    72    73   0.43200  1.0 3.0
   59    64    72    40  -0.03700  1.0 1.0
   59    64    72    40   0.37200 -1.0 2.0
   59    64    72    40  -0.47300  1.0 3.0
   61    59    64    65   0.00000  1.0 1.0
   61    59    64    66   0.00000  1.0 1.0
   61    59    64    72   0.04150 -1.0 2.0
   61    67    74    75   3.62500 -1.0 2.0
   61    67    74    76   3.62500 -1.0 2.0
   61    67    81    80   3.62500 -1.0 2.0
   61    67    81    60   3.62500 -1.0 2.0
   67    61    68    69   0.00000  1.0 1.0
   67    61    68    70   0.00000  1.0 1.0
   67    61    68    71   0.00000  1.0 1.0
   67    74    76    77   3.62500 -1.0 2.0
   67    74    76    78   3.62500 -1.0 2.0
   67    81   -60    58   3.62500 -1.0 2.0
   67    81    60    62   3.62500 -1.0 2.0
   74    67    81    80   3.62500 -1.0 2.0
   74    67    81    60   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    80    81   3.62500 -1.0 2.0
   76    78    80    82   3.62500 -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    80   -81    67   3.62500 -1.0 2.0
   78    80    81    60   3.62500 -1.0 2.0
   78    80    82    83   0.84100 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    81    60    58   3.62500 -1.0 2.0
   80    81    60    62   3.62500 -1.0 2.0
   81    67    74    75   3.62500 -1.0 2.0
   81    67   -74    76   3.62500 -1.0 2.0
   81    80    82    83   0.84100 -1.0 2.0
   81    60    62    63   0.84100 -1.0 2.0
   60    58   -59    61   3.62500 -1.0 2.0
   60    58    59    64   3.62500 -1.0 2.0
   82    80    81    67   3.62500 -1.0 2.0
   82    80    81    60   3.62500 -1.0 2.0
   68    61    67    74   3.62500 -1.0 2.0
   68    61    67    81   3.62500 -1.0 2.0
   64    59    61    67   3.62500 -1.0 2.0
   64    59    61    68   3.62500 -1.0 2.0
   64    72    40    33   0.56750  1.0 1.0
   64    72    40    33  -0.07550 -1.0 2.0
   64    72    40    33   0.20000  1.0 3.0
   64    72    40    41   0.15000  1.0 3.0
   64    72    40    44   1.36600  1.0 1.0
   64    72    40    44  -0.11450 -1.0 2.0
   64    72    40    44   0.24250  1.0 3.0
   65    64    72    50   0.15000  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    40   0.15000  1.0 3.0
   66    64    72    50   0.15000  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    40   0.15000  1.0 3.0
   72    50    54    55   0.30150 -1.0 2.0
   72    50   -54    58   0.05850 -1.0 2.0
   72    50   -54    58   0.17250  1.0 3.0
   72    50    56    57  -0.11600  1.0 1.0
   72    50    56    57  -0.09450 -1.0 2.0
   72    50    56    57   0.21250  1.0 3.0
   72    40    44    45   0.17350  1.0 3.0
   72    40    44    46   0.17350  1.0 3.0
   72    40    44    47   0.17350  1.0 3.0
   73    72    40    33   0.15000  1.0 3.0
   73    72    40    41   0.15000  1.0 3.0
   73    72    40    44   0.19200  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    48  -0.95700  1.0 1.0
   40    33    38    48  -0.18200 -1.0 2.0
   40    33    38    48   0.29450  1.0 3.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    46   0.13050  1.0 3.0
   41    40    44    47   0.13050  1.0 3.0
   56    50    54    55   0.30150 -1.0 2.0
   56    50    54    58   0.65300  1.0 1.0
   56    50    54    58  -0.03850 -1.0 2.0
   56    50    54    58   0.33900  1.0 3.0
   56    50    72    64   0.86500  1.0 1.0
   56    50    72    64  -0.17500 -1.0 2.0
   56    50    72    64   0.20800  1.0 3.0
   56    50    72    73   0.23400  1.0 3.0
   56    50    72    40   0.86500  1.0 1.0
   56    50    72    40  -0.17500 -1.0 2.0
   56    50    72    40   0.20800  1.0 3.0
   48    38    42    43   0.30150 -1.0 2.0
   48    38    42    50   0.65300  1.0 1.0
   48    38    42    50  -0.03850 -1.0 2.0
   48    38    42    50   0.33900  1.0 3.0
   49    48    51    52   2.45000 -1.0 2.0
   49    48    51    53   2.45000 -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
   38    50    42    43  10.50000 -1.0 2.0
   50    58    54    55  10.50000 -1.0 2.0
   59    60    58    54   4.00000 -1.0 2.0
   61    64    59    58   4.00000 -1.0 2.0
   67    68    61    59   4.00000 -1.0 2.0
   74    81    67    61   4.00000 -1.0 2.0
   76    75    74    67   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   81    82    80    78   4.00000 -1.0 2.0
   80    60    81    67   4.00000 -1.0 2.0
   81    62    60    58   4.00000 -1.0 2.0
   38    51    48    49  10.50000 -1.0 2.0
   53    48    51    52   1.00000 -1.0 2.0
END
