* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    153    249     457
    1     0 S   NP   _N1_     1    28.85660    95.04736   -25.78230
    2     1 S   H    _HN1     2     1.02947    78.05581     8.13255
    3     1 S   H    _H1_     3     1.02827    29.08490  -168.74933
    4     1 S   H    _H2_     4     1.02794   119.81479   -96.34265
    5     1 S   CT   _CA1     5     1.50126   121.18577   114.92494
    6     5 S   HC   _HA1     6     1.09573   105.16824    89.62957
    7     5 S   CO3  _C1_     7     1.53771   112.42921   -30.59344
    8     7 S   O2Z  _O11     8     1.26377   115.00614   -43.33234
    9     7 S   O2Z  _O12     9     1.26233   114.93928   135.65848
   10     5 S   CT   _CB1    10     1.53054   107.40046  -152.40633
   11    10 S   HC   HB11    11     1.09841   109.34592   -49.34962
   12    10 S   HC   HB12    12     1.09811   110.47462    67.24503
   13    10 S   CT   _CG1    13     1.53020   112.63496  -170.27680
   14    13 S   HC   HG11    14     1.09570   110.73029   -66.95612
   15    13 S   HC   HG12    15     1.09668   109.70883    52.30012
   16    13 S   C    _CD1    16     1.51811   111.97308   172.79208
   17    16 S   O    _OE1    17     1.22760   123.16316    12.05916
   18    16 S   N    _N2_    18     1.38632   111.84072  -167.97848
   19    18 S   H    _HN2    19     1.01572   119.05710     0.98715
   20    18 S   CT1  _CA2    20     1.46240   123.39119   176.96152
   21    20 S   HC   _HA2    21     1.09743   109.24029     7.95169
   22    20 S   C    _C2_    22     1.53704   109.02835  -107.56846
   23    22 S   O    _O2_    23     1.23095   122.22332  -149.94352
   24    20 S   CT   _CB2    32     1.53454   111.63107   129.89898
   25    24 S   HC   HB21    33     1.09512   109.63533    57.19867
   26    24 S   HC   HB22    34     1.09284   109.53143   175.92062
   27    22 S   N    _N3_    24     1.38308   113.92637    37.59911
   28    27 S   H    _HN3    25     1.01536   119.61042    -3.27208
   29    24 S   S    _SG2    35     1.83216   111.05928   -64.22110
   30    27 S   CT   _CA3    26     1.45273   123.27876   177.17319
   31    30 S   HC   HA31    27     1.09548   107.51765   -64.72133
   32    30 S   HC   HA32    28     1.09556   107.99190    51.73379
   33    29 S   CT   _C23    36     1.87833   102.11103   177.35470
   34    33 S   OM   _O39    37     1.31936   107.89967   -61.37146
   35    30 S   CO3  _C3_    29     1.52973   114.05065   173.74191
   36    35 S   O2Z  _O31    30     1.26383   116.09179    -0.10468
   37    35 S   O2Z  _O32    31     1.26427   114.41151   179.94766
   38    33 S   CT   _C6_    38     1.56210   107.21754   179.46771
   39    38 S   HC   _H3_    39     1.10107   108.12201   -57.45627
   40    33 S   CT   _C22    69     1.57541   111.03211    58.90158
   41    40 S   HC   _H5_    70     1.09997   110.01934   -70.19577
   42    38 S   CO4  _C7_    40     1.53375   111.33334  -171.06534
   43    42 S   O    _O34    41     1.23107   122.39241  -127.79431
   44    40 S   OS   _O40    71     1.44507   107.76033    47.88287
   45    38 S   CO4  _C5_    78     1.54178   115.74703    60.00649
   46    45 S   O    _O33    79     1.23135   123.06743    65.71133
   47    42 S   CT   _C8_    42     1.52373   116.07657    55.08091
   48    44 S   CT   _C24    72     1.42112   113.85014  -149.94898
   49    48 S   HC   _H17    73     1.09340   108.08633   179.38420
   50    48 S   HC   _H18    74     1.09370   110.60422    60.97924
   51    48 S   HC   _H19    75     1.09256   111.46983   -61.73055
   52    45 S   CT   _C4_    80     1.50912   116.54230  -117.25916
   53    52 S   HC   _H6_    81     1.09206   110.15185    56.90030
   54    52 S   HC   _H7_    82     1.09278   109.39829   -64.30951
   55    52 S   HC   _H8_    83     1.09363   109.63735   176.23568
   56    47 S   CO4  _C21    43     1.52785   113.88471   177.96318
   57    56 S   O    _O35    44     1.23115   120.64774   -74.74144
   58    47 S   OH   _O41    76     1.43054   105.77765    64.17542
   59    58 S   HO   _H20    77     0.97393   107.85417    64.24943
   60    56 S   CA   _C20    45     1.49393   119.67392   104.79202
   61    60 S   CA   _C11    46     1.39713   118.92056    -3.25065
   62    60 S   CA   _C19    57     1.41183   121.77759   176.40664
   63    61 S   CA   _C12    47     1.40166   119.31740  -179.07889
   64    63 S   HA   _H11    48     1.09026   118.60913   178.61973
   65    62 S   OH   _O36    58     1.37541   120.78847    -0.15451
   66    65 S   HO   _H14    59     0.97266   109.63746     1.97655
   67    61 S   CT   _C10    64     1.50546   121.97570    -2.29064
   68    67 S   HC   _H9_    65     1.09709   109.81955   153.11804
   69    67 S   HC   _H10    66     1.09354   106.52363   -90.47859
   70    63 S   CA   _C13    49     1.40213   121.93625    -1.36286
   71    47 S   CT   _C9_    67     1.53174   110.50001   -54.00383
   72    71 S   HC   _H4_    68     1.09935   106.60583   166.85878
   73    70 S   CA   _C14    50     1.40564   119.37980  -179.47735
   74    73 S   HA   _H12    51     1.08840   119.99416    -0.00000
   75    73 S   CA   _C15    52     1.39082   120.59949   179.93744
   76    75 S   CA   _C16    53     1.38480   120.54337     0.02798
   77    76 S   HA   _H13    54     1.08630   119.82753  -179.97202
   78    75 S   OH   _O38    62     1.36581   121.19127  -179.96044
   79    78 S   HO   _H16    63     0.97240   108.72930    -0.02798
   80    76 S   CA   _C17    55     1.39795   119.24905     0.05935
   81    70 S   CA   _C18    56     1.41625   120.04945     0.59873
   82    80 S   OH   _O37    60     1.37315   117.86500   179.96044
   83    82 S   HO   _H15    61     0.97179   109.26999    -0.06853
  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
  16   8   2   1   1  16   7  17   6  13   5   8   6   4  12   4
   2   1   1   3   2   1   1  12   5   5   1  13  12  10  11   4
   4   1   5   3   2   8   1   1   8   4   7   7   4   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    71    40    41    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    67    71    72    40    41    44    48    45    46    52  
   38    39    42    71    40    41    44    45  
   36    37  
   37  
    0  
   39    42    43    47    56    71    40    41    44    58    45    46    52    53    54    55  
   42    43    47    40    45    46    52  
   41    44    48    49    50    51    58    45    42    47    56    61    67    68    69    71    72  
   44    48    47    67    71    72  
   43    47    56    57    60    67    71    72    58    59    45    46    52  
   47    56    71    58    45  
   48    49    50    51    47    67    71    72  
   46    52    53    54    55    47  
   52    53    54    55  
   56    57    60    61    62    67    68    69    71    72    58    59  
   49    50    51    71  
   50    51  
   51  
    0  
   53    54    55  
   54    55  
   55  
    0  
   57    60    61    63    81    62    65    67    71    72    58    59  
   60    61    62    71    58  
   59    60    67    71    72  
   71  
   61    63    64    70    80    81    62    65    66    67    68    69    71  
   63    64    70    73    81    62    65    67    68    69    71    72  
   65    66    82    67    63    70    73    76    80    81  
   64    70    73    74    75    80    81    67    68    69    71  
   70    73    81    67  
   66    70    80    81  
   81  
   68    69    71    72    70  
   69    71    72  
   71    72  
   73    74    75    76    80    81    82    78  
   72  
    0  
   74    75    76    77    80    81    78    79  
   75    76    81    78  
   76    77    80    81    82    78    79  
   77    80    81    82    83    78    79  
   80    81    82    78  
   79    80  
    0  
   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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    45   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    56   317.000  1.522
   47    71   268.000  1.529
   47    58   320.000  1.410
   56    57   570.000  1.229
   56    60   310.000  1.470
   60    61   469.000  1.400
   60    62   469.000  1.400
   61    63   469.000  1.400
   61    67   317.000  1.510
   63    64   367.000  1.080
   63    70   469.000  1.400
   70    73   469.000  1.400
   70    81   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    78   450.000  1.364
   76    77   367.000  1.080
   76    80   469.000  1.400
   80    81   469.000  1.400
   80    82   450.000  1.364
   81    62   469.000  1.400
   62    65   450.000  1.364
   65    66   553.000  0.945
   82    83   553.000  0.945
   78    79   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   268.000  1.529
   71    72   340.000  1.090
   71    40   268.000  1.529
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   58    59   553.000  0.945
   45    46   570.000  1.229
   45    52   317.000  1.522
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    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    45    63.00000  111.10000
   33    40    71    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    47    70.00000  116.00000
   38    45    46    80.00000  120.40000
   38    45    52    70.00000  116.00000
   42    38    39    35.00000  109.50000
   42    47    56    75.00000  107.99600
   42    47    71    63.00000  111.10000
   42    47    58    90.00000  109.61100
   47    42    43    80.00000  120.40000
   47    56    57    80.00000  120.40000
   47    56    60    65.00000  115.47100
   47    71    67    58.35000  112.70000
   47    71    72    37.50000  110.70000
   47    71    40    58.35000  112.70000
   47    58    59    55.00000  108.50000
   56    60    61    60.00000  119.52600
   56    60    62    60.00000  119.52600
   60    56    57    75.00000  123.78400
   60    61    63    63.00000  120.00000
   60    61    67    70.00000  120.00000
   60    62    81    63.00000  120.00000
   60    62    65    70.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    70    63.00000  120.00000
   61    67    68    35.00000  109.50000
   61    67    69    35.00000  109.50000
   61    67    71    70.00000  112.17500
   63    70    73    63.00000  120.00000
   63    70    81    63.00000  120.00000
   70    63    64    35.00000  120.00000
   70    73    74    35.00000  120.00000
   70    73    75    63.00000  120.00000
   70    81    80    63.00000  120.00000
   70    81    62    63.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    78    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  120.00000
   75    76    80    63.00000  120.00000
   75    78    79    35.00000  113.00000
   76    80    81    63.00000  120.00000
   76    80    82    70.00000  120.00000
   80    76    77    35.00000  120.00000
   80    81    62    63.00000  120.00000
   80    82    83    35.00000  113.00000
   81    70    73    63.00000  120.00000
   81    62    65    70.00000  120.00000
   62    60    61    63.00000  120.00000
   62    65    66    35.00000  113.00000
   82    80    81    70.00000  120.00000
   78    75    76    70.00000  120.00000
   67    61    63    70.00000  120.00000
   67    71    72    37.50000  110.70000
   67    71    40    58.35000  112.70000
   69    67    68    33.00000  107.80000
   71    47    56    63.00000  111.10000
   71    67    68    37.50000  110.70000
   71    67    69    37.50000  110.70000
   71    40    41    37.50000  110.70000
   71    40    44    50.00000  109.50000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    71    72    37.50000  110.70000
   40    44    48    60.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   58    47    56    90.00000  109.61100
   58    47    71    50.00000  109.50000
   45    38    39    35.00000  109.50000
   45    38    42    75.00000  107.99600
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    55    35.00000  109.50000
   52    45    46    80.00000  120.40000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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   0.13850  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    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    71   0.44750  1.0 1.0
   29    33    40    71  -0.17800 -1.0 2.0
   29    33    40    71   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    47   0.60050  1.0 1.0
   33    38    42    47   0.05600 -1.0 2.0
   33    38    42    47   0.26150  1.0 3.0
   33    38    45    46   0.30150 -1.0 2.0
   33    38    45    52   0.60050  1.0 1.0
   33    38    45    52   0.05600 -1.0 2.0
   33    38    45    52   0.26150  1.0 3.0
   33    40    44    48   0.06250  1.0 1.0
   33    40    44    48  -0.01100 -1.0 2.0
   33    40    44    48   0.28050  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    45  -0.09450  1.0 1.0
   34    33    38    45  -1.12950 -1.0 2.0
   34    33    38    45   0.54000  1.0 3.0
   34    33    40    71   0.62750  1.0 1.0
   34    33    40    71  -0.30950 -1.0 2.0
   34    33    40    71   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.11900  1.0 1.0
   34    33    40    44  -1.16350 -1.0 2.0
   34    33    40    44  -0.34150  1.0 3.0
   38    33    40    71   0.56750  1.0 1.0
   38    33    40    71  -0.07550 -1.0 2.0
   38    33    40    71   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.62750  1.0 1.0
   38    33    40    44  -0.30950 -1.0 2.0
   38    33    40    44   0.27300  1.0 3.0
   38    42    47    56   0.65300  1.0 1.0
   38    42    47    56  -0.03850 -1.0 2.0
   38    42    47    56   0.33900  1.0 3.0
   38    42   -47    71   0.60050  1.0 1.0
   38    42   -47    71   0.05600 -1.0 2.0
   38    42   -47    71   0.26150  1.0 3.0
   38    42    47    58   0.55300  1.0 1.0
   38    42    47    58   1.25850 -1.0 2.0
   38    42    47    58  -0.23600  1.0 3.0
   38    45    52    53   0.00000  1.0 1.0
   38    45    52    54   0.00000  1.0 1.0
   38    45    52    55   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    45    46   0.00000  1.0 1.0
   39    38    45    52   0.00000  1.0 1.0
   42    38    45    46   0.30150 -1.0 2.0
   42    38    45    52   0.65300  1.0 1.0
   42    38    45    52  -0.03850 -1.0 2.0
   42    38    45    52   0.33900  1.0 3.0
   42    47    56    57   0.30150 -1.0 2.0
   42    47    56    60   0.65300  1.0 1.0
   42    47    56    60  -0.03850 -1.0 2.0
   42    47    56    60   0.33900  1.0 3.0
   42    47    71    67  -0.95700  1.0 1.0
   42    47    71    67  -0.18200 -1.0 2.0
   42    47    71    67   0.29450  1.0 3.0
   42    47    71    72  -0.11250  1.0 3.0
   42    47    71    40  -0.95700  1.0 1.0
   42    47    71    40  -0.18200 -1.0 2.0
   42    47    71    40   0.29450  1.0 3.0
   42    47    58    59   0.91850  1.0 1.0
   42    47    58    59   0.57950  1.0 3.0
   43    42    47    56   0.30150 -1.0 2.0
   43    42    47    71   0.30150 -1.0 2.0
   43    42    47    58   0.30150 -1.0 2.0
   47    56    60    61   2.26350  1.0 1.0
   47    56    60    61   0.76750 -1.0 2.0
   47    56    60    61   0.22500  1.0 3.0
   47    56    60    62   2.26350  1.0 1.0
   47    56    60    62   0.76750 -1.0 2.0
   47    56    60    62   0.22500  1.0 3.0
   47    71   -40    33   0.56750  1.0 1.0
   47    71   -40    33  -0.07550 -1.0 2.0
   47    71   -40    33   0.20000  1.0 3.0
   47    71    40    41   0.15000  1.0 3.0
   47    71    40    44   0.62750  1.0 1.0
   47    71    40    44  -0.30950 -1.0 2.0
   47    71    40    44   0.27300  1.0 3.0
   56    47    71    67  -0.95700  1.0 1.0
   56    47    71    67  -0.18200 -1.0 2.0
   56    47    71    67   0.29450  1.0 3.0
   56    47    71    72  -0.11250  1.0 3.0
   56    47    71    40  -0.95700  1.0 1.0
   56    47    71    40  -0.18200 -1.0 2.0
   56    47    71    40   0.29450  1.0 3.0
   56    47    58    59   0.91850  1.0 1.0
   56    47    58    59   0.57950  1.0 3.0
   56    60    61    63   3.62500 -1.0 2.0
   56    60   -61    67   3.62500 -1.0 2.0
   56    60    62    81   3.62500 -1.0 2.0
   56    60    62    65   3.62500 -1.0 2.0
   57    56    60    61   1.05000 -1.0 2.0
   57    56    60    62   1.05000 -1.0 2.0
   60    61    63    64   3.62500 -1.0 2.0
   60    61    63    70   3.62500 -1.0 2.0
   60    61    67    68   0.00000  1.0 1.0
   60    61    67    69   0.00000  1.0 1.0
   60    61    67    71   0.04150 -1.0 2.0
   60    62    65    66   0.84100 -1.0 2.0
   61    60    62    81   3.62500 -1.0 2.0
   61    60    62    65   3.62500 -1.0 2.0
   61    63    70    73   3.62500 -1.0 2.0
   61    63   -70    81   3.62500 -1.0 2.0
   61    67   -71    47  -0.03700  1.0 1.0
   61    67   -71    47   0.37200 -1.0 2.0
   61    67   -71    47  -0.47300  1.0 3.0
   61    67    71    72   0.43200  1.0 3.0
   61    67    71    40  -0.03700  1.0 1.0
   61    67    71    40   0.37200 -1.0 2.0
   61    67    71    40  -0.47300  1.0 3.0
   63    61    67    68   0.00000  1.0 1.0
   63    61    67    69   0.00000  1.0 1.0
   63    61    67    71   0.04150 -1.0 2.0
   63    70    73    74   3.62500 -1.0 2.0
   63    70    73    75   3.62500 -1.0 2.0
   63    70    81    80   3.62500 -1.0 2.0
   63    70    81    62   3.62500 -1.0 2.0
   64    63    70    73   3.62500 -1.0 2.0
   64    63    70    81   3.62500 -1.0 2.0
   70    73    75    76   3.62500 -1.0 2.0
   70    73    75    78   3.62500 -1.0 2.0
   70    81   -62    60   3.62500 -1.0 2.0
   70    81    62    65   3.62500 -1.0 2.0
   73    70    81    80   3.62500 -1.0 2.0
   73    70    81    62   3.62500 -1.0 2.0
   73    75    76    77   3.62500 -1.0 2.0
   73    75   -76    80   3.62500 -1.0 2.0
   73    75    78    79   0.84100 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    78   3.62500 -1.0 2.0
   75    76    80    81   3.62500 -1.0 2.0
   75    76    80    82   3.62500 -1.0 2.0
   76    75    78    79   0.84100 -1.0 2.0
   76    80   -81    70   3.62500 -1.0 2.0
   76    80    81    62   3.62500 -1.0 2.0
   76    80    82    83   0.84100 -1.0 2.0
   77    76    80    81   3.62500 -1.0 2.0
   77    76    80    82   3.62500 -1.0 2.0
   80    81    62    60   3.62500 -1.0 2.0
   80    81    62    65   3.62500 -1.0 2.0
   81    70    73    74   3.62500 -1.0 2.0
   81    70   -73    75   3.62500 -1.0 2.0
   81    80    82    83   0.84100 -1.0 2.0
   81    62    65    66   0.84100 -1.0 2.0
   62    60   -61    63   3.62500 -1.0 2.0
   62    60    61    67   3.62500 -1.0 2.0
   82    80    81    70   3.62500 -1.0 2.0
   82    80    81    62   3.62500 -1.0 2.0
   78    75    76    77   3.62500 -1.0 2.0
   78    75    76    80   3.62500 -1.0 2.0
   67    61    63    64   3.62500 -1.0 2.0
   67    61    63    70   3.62500 -1.0 2.0
   67    71    40    33   0.56750  1.0 1.0
   67    71    40    33  -0.07550 -1.0 2.0
   67    71    40    33   0.20000  1.0 3.0
   67    71    40    41   0.15000  1.0 3.0
   67    71    40    44   0.62750  1.0 1.0
   67    71    40    44  -0.30950 -1.0 2.0
   67    71    40    44   0.27300  1.0 3.0
   68    67    71    47   0.15000  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    40   0.15000  1.0 3.0
   69    67    71    47   0.15000  1.0 3.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    40   0.15000  1.0 3.0
   71    47    56    57   0.30150 -1.0 2.0
   71    47   -56    60   0.05850 -1.0 2.0
   71    47   -56    60   0.17250  1.0 3.0
   71    47    58    59  -0.11600  1.0 1.0
   71    47    58    59  -0.09450 -1.0 2.0
   71    47    58    59   0.21250  1.0 3.0
   71    40    44    48   0.06250  1.0 1.0
   71    40    44    48  -0.01100 -1.0 2.0
   71    40    44    48   0.28050  1.0 3.0
   72    71    40    33   0.15000  1.0 3.0
   72    71    40    41   0.15000  1.0 3.0
   72    71    40    44   0.23400  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    45  -0.95700  1.0 1.0
   40    33    38    45  -0.18200 -1.0 2.0
   40    33    38    45   0.29450  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    50   0.37050  1.0 3.0
   40    44    48    51   0.37050  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   58    47    56    57   0.30150 -1.0 2.0
   58    47    56    60   0.65300  1.0 1.0
   58    47    56    60  -0.03850 -1.0 2.0
   58    47    56    60   0.33900  1.0 3.0
   58    47    71    67   0.86500  1.0 1.0
   58    47    71    67  -0.17500 -1.0 2.0
   58    47    71    67   0.20800  1.0 3.0
   58    47    71    72   0.23400  1.0 3.0
   58    47    71    40   0.86500  1.0 1.0
   58    47    71    40  -0.17500 -1.0 2.0
   58    47    71    40   0.20800  1.0 3.0
   45    38    42    43   0.30150 -1.0 2.0
   45    38    42    47   0.65300  1.0 1.0
   45    38    42    47  -0.03850 -1.0 2.0
   45    38    42    47   0.33900  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   0.00000  1.0 1.0
   46    45    52    55   0.00000  1.0 1.0
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    47    42    43  10.50000 -1.0 2.0
   47    60    56    57  10.50000 -1.0 2.0
   61    62    60    56   4.00000 -1.0 2.0
   63    67    61    60   4.00000 -1.0 2.0
   70    64    63    61   1.10000 -1.0 2.0
   73    81    70    63   4.00000 -1.0 2.0
   75    74    73    70   1.10000 -1.0 2.0
   76    78    75    73   4.00000 -1.0 2.0
   80    77    76    75   1.10000 -1.0 2.0
   81    82    80    76   4.00000 -1.0 2.0
   80    62    81    70   4.00000 -1.0 2.0
   81    65    62    60   4.00000 -1.0 2.0
   38    52    45    46  10.50000 -1.0 2.0
END
